methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole

C82H118N12O7 — CID 158815321

IUPACmethane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole
SMILESC.C.C.C.C.CC(C)n1cc(-c2ccc3cccnc3c2)cn1.CC(C)n1cc(-c2cccc(N3CCCC3)c2)cn1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1OC.COCCOc1cccc(-c2cnn(C(C)C)c2)c1
InChIInChI=1S/C16H21N3.C16H22N2O3.C15H15N3.2C15H20N2O2.5CH4/c1-13(2)19-12-15(11-17-19)14-6-5-7-16(10-14)18-8-3-4-9-18;1-12(2)18-11-14(10-17-18)13-5-6-15(16(9-13)20-4)21-8-7-19-3;1-11(2)18-10-14(9-17-18)13-6-5-12-4-3-7-16-15(12)8-13;1-12(2)17-11-14(10-16-17)13-4-6-15(7-5-13)19-9-8-18-3;1-12(2)17-11-14(10-16-17)13-5-4-6-15(9-13)19-8-7-18-3;;;;;/h5-7,10-13H,3-4,8-9H2,1-2H3;5-6,9-12H,7-8H2,1-4H3;3-11H,1-2H3;4-7,10-12H,8-9H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5*1H4
InChIKeyIVERXPXKUZOXBI-UHFFFAOYSA-N
MW1383.92 g/mol
LogP20.07
Rot. Bonds24

About methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole

methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole (PubChem CID 158815321) has the molecular formula C82H118N12O7 and a molecular weight of 1383.92 g/mol. Its IUPAC name is methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole.

Molecular Properties

Compound Namemethane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole
PubChem CID158815321
Molecular FormulaC82H118N12O7
Molecular Weight1383.92 g/mol
Exact Mass1382.92
IUPAC Namemethane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole
SMILESC.C.C.C.C.CC(C)n1cc(-c2ccc3cccnc3c2)cn1.CC(C)n1cc(-c2cccc(N3CCCC3)c2)cn1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1OC.COCCOc1cccc(-c2cnn(C(C)C)c2)c1
InChIInChI=1S/C16H21N3.C16H22N2O3.C15H15N3.2C15H20N2O2.5CH4/c1-13(2)19-12-15(11-17-19)14-6-5-7-16(10-14)18-8-3-4-9-18;1-12(2)18-11-14(10-17-18)13-5-6-15(16(9-13)20-4)21-8-7-19-3;1-11(2)18-10-14(9-17-18)13-6-5-12-4-3-7-16-15(12)8-13;1-12(2)17-11-14(10-16-17)13-4-6-15(7-5-13)19-9-8-18-3;1-12(2)17-11-14(10-16-17)13-5-4-6-15(9-13)19-8-7-18-3;;;;;/h5-7,10-13H,3-4,8-9H2,1-2H3;5-6,9-12H,7-8H2,1-4H3;3-11H,1-2H3;4-7,10-12H,8-9H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5*1H4
InChIKeyIVERXPXKUZOXBI-UHFFFAOYSA-N
XLogP20.07
TPSA169.84 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds24
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001383.92
LogP ≤ 520.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole with MolForge

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Related Compounds

US20250360145, Example 12
CID 178254698
1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-(5-quinolinylmethyl)methanamine
CID 42594754
[6,18-Dimethoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaen-10-yl]methanol
CID 131978529
[6,19-Dimethoxy-18-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4(9),5,7,16,18,20-heptaen-10-yl]methanol
CID 131978779
4-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]-3-methylphenyl]-1-methylpyrazole;4-[4-[[(2S)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(1,3-benzodioxol-5-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;6-[(2S)-1-[[2-methyl-4-(2-methyl-3-pyridinyl)phenyl]methyl]pyrrolidin-2-yl]quinoxaline;6-[(2R)-1-[[2-methyl-4-(2-methyl-3-pyridinyl)phenyl]methyl]pyrrolidin-2-yl]quinoxaline
CID 157070001
4-(1,3-Benzodioxol-5-yl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(4-methoxy-2-methylphenyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one;4-(5-methyl-2-pyridinyl)-1-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]pyridin-2-one
CID 157163060
5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
CID 157329529
1,2-Dimethyl-5-(5-phenylpyrazol-1-yl)indole;9-ethyl-3-[5-(3-methoxyphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-[5-(3-methylphenyl)pyrazol-1-yl]carbazole;9-ethyl-3-(5-phenylpyrazol-1-yl)carbazole
CID 157344830
Methane;[18-methoxy-19-[(4-pyrazol-1-ylphenyl)methoxy]-10,13-diazapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-3(11),4,6,8,16,18,20-heptaen-10-yl]methanol
CID 157540463
2,3-Dihydro-1,4-benzodioxine;ethane;1-methylindazole;tris(2-methylpropane);1-propan-2-ylindazole;quinoline
CID 157619123
1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethylnaphthalene;2-[[4-(1-methyl-4-pyridin-4-ylpyrazol-3-yl)phenoxy]methyl]quinoline
CID 157916675
2-(4-Benzo[b]oxanthren-3-ylcarbazol-9-yl)-9-phenylcarbazole;3-(4-benzo[b]oxanthren-3-ylphenyl)-9-phenylcarbazole;3-(5-benzo[b]oxanthren-3-yl-2-pyridinyl)-9-phenylcarbazole;3-(6-benzo[b]oxanthren-3-yl-3-pyridinyl)-9-phenylcarbazole
CID 158322044

Frequently Asked Questions

What is the IUPAC name of methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?
The IUPAC name of methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole (CID 158815321) is methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole.
What is the SMILES notation for methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?
The canonical SMILES for methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole is C.C.C.C.C.CC(C)n1cc(-c2ccc3cccnc3c2)cn1.CC(C)n1cc(-c2cccc(N3CCCC3)c2)cn1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1.COCCOc1ccc(-c2cnn(C(C)C)c2)cc1OC.COCCOc1cccc(-c2cnn(C(C)C)c2)c1.
What is the InChIKey of methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?
The InChIKey is IVERXPXKUZOXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3.C16H22N2O3.C15H15N3.2C15H20N2O2.5CH4/c1-13(2)19-12-15(11-17-19)14-6-5-7-16(10-14)18-8-3-4-9-18;1-12(2)18-11-14(10-17-18)13-5-6-15(16(9-13)20-4)21-8-7-19-3;1-11(2)18-10-14(9-17-18)13-6-5-12-4-3-7-16-15(12)8-13;1-12(2)17-11-14(10-16-17)13-4-6-15(7-5-13)19-9-8-18-3;1-12(2)17-11-14(10-16-17)13-5-4-6-15(9-13)19-8-7-18-3;;;;;/h5-7,10-13H,3-4,8-9H2,1-2H3;5-6,9-12H,7-8H2,1-4H3;3-11H,1-2H3;4-7,10-12H,8-9H2,1-3H3;4-6,9-12H,7-8H2,1-3H3;5*1H4.
What are the key properties of methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole?
methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole has a molecular weight of 1383.92 g/mol, XLogP of 20.07, 24 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for methane;4-[3-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;4-[3-methoxy-4-(2-methoxyethoxy)phenyl]-1-propan-2-ylpyrazole;7-(1-propan-2-ylpyrazol-4-yl)quinoline;1-propan-2-yl-4-(3-pyrrolidin-1-ylphenyl)pyrazole is sourced from PubChem (CID 158815321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).