1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide

C17H20N4O — CID 129336211

IUPAC1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn([C@H]2CCNC2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H20N4O/c22-16(17(8-9-17)13-4-2-1-3-5-13)19-15-7-11-21(20-15)14-6-10-18-12-14/h1-5,7,11,14,18H,6,8-10,12H2,(H,19,20,22)/t14-/m0/s1
InChIKeyQJBFGRIFIWXHPO-AWEZNQCLSA-N
MW296.37 g/mol
LogP2.09
Rot. Bonds4

About 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide

1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide (PubChem CID 129336211) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
PubChem CID129336211
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn([C@H]2CCNC2)n1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H20N4O/c22-16(17(8-9-17)13-4-2-1-3-5-13)19-15-7-11-21(20-15)14-6-10-18-12-14/h1-5,7,11,14,18H,6,8-10,12H2,(H,19,20,22)/t14-/m0/s1
InChIKeyQJBFGRIFIWXHPO-AWEZNQCLSA-N
XLogP2.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 128964902
3-cyclohexyl-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129330407
1-phenyl-N-[(3R)-piperidin-3-yl]cyclopropane-1-carboxamide
CID 104645396
3-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991650
1-(4-fluorophenyl)-N-(1-phenylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 135315796
N-(3-methylpiperidin-4-yl)-1-phenylcyclopropane-1-carboxamide
CID 120555297
1-phenyl-N-(1-pyrimidin-5-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134596279
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327739
2-pyridin-3-yl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991658
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129337211
1-phenyl-N-(1-pyrimidin-4-ylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 134589054
N-[1-(5-fluoro-3-pyridinyl)pyrazol-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 134589086

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide (CID 129336211) is 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide is O=C(Nc1ccn([C@H]2CCNC2)n1)C1(c2ccccc2)CC1.
What is the InChIKey of 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide?
The InChIKey is QJBFGRIFIWXHPO-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O/c22-16(17(8-9-17)13-4-2-1-3-5-13)19-15-7-11-21(20-15)14-6-10-18-12-14/h1-5,7,11,14,18H,6,8-10,12H2,(H,19,20,22)/t14-/m0/s1.
What are the key properties of 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide?
1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129336211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).