2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

C24H22F3N5O2 — CID 150542410

IUPAC2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H22F3N5O2/c1-16-12-20(30-32(16)14-17-4-9-22(28-13-17)31-10-2-3-11-31)23-29-21(15-33-23)18-5-7-19(8-6-18)34-24(25,26)27/h4-9,12-13,15H,2-3,10-11,14H2,1H3
InChIKeyIGDVGIJLCRBOAA-UHFFFAOYSA-N
MW469.47 g/mol
LogP5.46
Rot. Bonds6

About 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole

2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (PubChem CID 150542410) has the molecular formula C24H22F3N5O2 and a molecular weight of 469.47 g/mol. Its IUPAC name is 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
PubChem CID150542410
Molecular FormulaC24H22F3N5O2
Molecular Weight469.47 g/mol
Exact Mass469.17
IUPAC Name2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
SMILESCc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(N2CCCC2)nc1
InChIInChI=1S/C24H22F3N5O2/c1-16-12-20(30-32(16)14-17-4-9-22(28-13-17)31-10-2-3-11-31)23-29-21(15-33-23)18-5-7-19(8-6-18)34-24(25,26)27/h4-9,12-13,15H,2-3,10-11,14H2,1H3
InChIKeyIGDVGIJLCRBOAA-UHFFFAOYSA-N
XLogP5.46
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.47
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 90644193
19-Amino-13-fluoro-3,5,8-trimethyl-17-oxa-4,5,8,20-tetrazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaen-9-one
CID 71731827
5-(2-furyl)-N-methyl-7-(trifluoromethyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 1223566
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [3,5-dimethyl-1-(2-methyl-benzyl)-1H-pyrazol-4-yl]-amide
CID 651382
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CID 155371223
5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
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5-(furan-2-yl)-N-[1-[(2-methylphenyl)methyl]pyrazol-3-yl]-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 652821
5-Furan-2-yl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid [1-(4-fluoro-benzyl)-1H-pyrazol-4-yl]-amide
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CID 1165076
1-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-4-pyridin-2-ylpiperazine
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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The IUPAC name of 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole (CID 150542410) is 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole.
What is the SMILES notation for 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The canonical SMILES for 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is Cc1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)co2)nn1Cc1ccc(N2CCCC2)nc1.
What is the InChIKey of 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
The InChIKey is IGDVGIJLCRBOAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O2/c1-16-12-20(30-32(16)14-17-4-9-22(28-13-17)31-10-2-3-11-31)23-29-21(15-33-23)18-5-7-19(8-6-18)34-24(25,26)27/h4-9,12-13,15H,2-3,10-11,14H2,1H3.
What are the key properties of 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole?
2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole has a molecular weight of 469.47 g/mol, XLogP of 5.46, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-1-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyrazol-3-yl]-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole is sourced from PubChem (CID 150542410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).