1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

C130H192F8N20O — CID 157184423

IUPAC1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)n1.Cc1ccncc1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10FN.2C8H14N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-6H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3/t;;2*11-;;;;;;;;;/m..10........./s1
InChIKeyAOYJIOWLKDTQJS-XDMJSODGSA-N
MW2203.09 g/mol
LogP34.45
Rot. Bonds19

About 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 157184423) has the molecular formula C130H192F8N20O and a molecular weight of 2203.09 g/mol. Its IUPAC name is 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
PubChem CID157184423
Molecular FormulaC130H192F8N20O
Molecular Weight2203.09 g/mol
Exact Mass2201.55
IUPAC Name1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESCC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)n1.Cc1ccncc1C(C)C.Cc1nn(C)cc1C(C)C
InChIInChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10FN.2C8H14N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-6H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3/t;;2*11-;;;;;;;;;/m..10........./s1
InChIKeyAOYJIOWLKDTQJS-XDMJSODGSA-N
XLogP34.45
TPSA204.55 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds19
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002203.09
LogP ≤ 534.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine with MolForge

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Related Compounds

4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
5-[(2R)-2-(3,6-difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 147906050
2-[4-(1-Benzhydrylpyrazol-3-yl)piperidin-1-yl]-5-(difluoromethoxy)pyridine
CID 150429128
4-[6-[6-[(2-Methoxy-4-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-[2-[2-(trifluoromethyl)-2,7-diazaspiro[4.4]nonan-7-yl]ethoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156148460
5-[2-(3,6-Difluoro-2-pyridinyl)pyrrolidin-1-yl]-3-[4-(5-methoxy-3-pyridinyl)pyrazol-1-yl]pyrazolo[1,5-a]pyrimidine
CID 156198229
8-methoxy-6-[5-[5-[1-(oxan-4-ylmethyl)piperidin-4-yl]-2-pyridinyl]-4-(trifluoromethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321462
8-methoxy-6-[5-[4-methyl-5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2,2,2-trifluoroethyl)-1H-pyrazol-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 156321611
5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-[5-[(1S,5R)-3-[(3S)-3-methylmorpholin-4-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;5-[5-[(1R,5S)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(2,2,2-trifluoroethoxy)pyridin-2-amine
CID 157104559
5-[5-[(1R,5S)-3-(4-methylpiperazin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine;bis(5-[5-[(1S,5R)-3-morpholin-4-yl-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethoxy)pyridin-2-amine)
CID 157120991
5-[5-[(1S,5R)-3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(difluoromethoxy)pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1R,5S)-3-(3,3-difluoropyrrolidin-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(1,4-oxazepan-4-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine
CID 157267930
3-(difluoromethoxy)-5-[5-[(1S,5R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;3-(difluoromethoxy)-5-[5-[(1S,5R)-3-(4-methyl-1,4-diazepan-1-yl)-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]pyridin-2-amine;5-[5-[(1S,5R)-3-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-6-bicyclo[3.1.0]hexanyl]-1-propan-2-ylpyrazol-3-yl]-3-(trifluoromethyl)pyridin-2-amine
CID 157558892
5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-N-methylpyrimidin-2-amine;5-[4-(2-azabicyclo[2.1.1]hexan-2-yl)-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]-3-(trifluoromethoxy)pyridin-2-amine;5-(6-cyclopropyl-10,10-dimethyl-11-oxa-1,5,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8-tetraen-4-yl)-3-(trifluoromethyl)pyridin-2-amine;5-[6,6-dimethyl-4-(2-propan-2-ylpyrazol-3-yl)-8,9-dihydropurino[8,9-c][1,4]oxazin-2-yl]pyrimidin-2-amine
CID 157630411

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (CID 157184423) is 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is CC(C)c1ccnc(C(F)(F)F)c1.CC(C)c1ccnc(F)c1.CC(C)c1ccnc(N2CCC(C(F)(F)F)C2)c1.CC(C)c1ccnc(N2CCC(C)(F)C2)c1.CC(C)c1ccnc(N2CC[C@@H](C)C2)c1.CC(C)c1ccnc(N2CC[C@H](C)C2)c1.CC(C)c1cnn(C(C)C)c1.COc1cncc(C(C)C)c1.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)ccn1.Cc1cccc(C(C)C)n1.Cc1ccncc1C(C)C.Cc1nn(C)cc1C(C)C.
What is the InChIKey of 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is AOYJIOWLKDTQJS-XDMJSODGSA-N. The full InChI is InChI=1S/C13H17F3N2.C13H19FN2.2C13H20N2.C9H10F3N.C9H16N2.C9H13NO.3C9H13N.C8H10FN.2C8H14N2/c1-9(2)10-3-5-17-12(7-10)18-6-4-11(8-18)13(14,15)16;1-10(2)11-4-6-15-12(8-11)16-7-5-13(3,14)9-16;2*1-10(2)12-4-6-14-13(8-12)15-7-5-11(3)9-15;1-6(2)7-3-4-13-8(5-7)9(10,11)12;1-7(2)9-5-10-11(6-9)8(3)4;1-7(2)8-4-9(11-3)6-10-5-8;1-7(2)9-4-5-10-8(3)6-9;1-7(2)9-6-10-5-4-8(9)3;1-7(2)9-6-4-5-8(3)10-9;1-6(2)7-3-4-10-8(9)5-7;1-6(2)8-5-10(4)9-7(8)3;1-6(2)8-5-9-10(4)7(8)3/h3,5,7,9,11H,4,6,8H2,1-2H3;4,6,8,10H,5,7,9H2,1-3H3;2*4,6,8,10-11H,5,7,9H2,1-3H3;3-6H,1-2H3;5-8H,1-4H3;4-7H,1-3H3;3*4-7H,1-3H3;3-6H,1-2H3;2*5-6H,1-4H3/t;;2*11-;;;;;;;;;/m..10........./s1.
What are the key properties of 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 2203.09 g/mol, XLogP of 34.45, 19 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1,4-di(propan-2-yl)pyrazole;2-(3-fluoro-3-methylpyrrolidin-1-yl)-4-propan-2-ylpyridine;2-fluoro-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;2-methyl-4-propan-2-ylpyridine;2-methyl-6-propan-2-ylpyridine;4-methyl-3-propan-2-ylpyridine;2-[(3R)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;2-[(3S)-3-methylpyrrolidin-1-yl]-4-propan-2-ylpyridine;4-propan-2-yl-2-(trifluoromethyl)pyridine;4-propan-2-yl-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 157184423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).