2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide

C17H20N4O — CID 128964902

IUPAC2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(C2CCNC2)n1)C1CC1c1ccccc1
InChIInChI=1S/C17H20N4O/c22-17(15-10-14(15)12-4-2-1-3-5-12)19-16-7-9-21(20-16)13-6-8-18-11-13/h1-5,7,9,13-15,18H,6,8,10-11H2,(H,19,20,22)
InChIKeyKWSWOETZZGWMKV-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.16
Rot. Bonds4

About 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide

2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide (PubChem CID 128964902) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
PubChem CID128964902
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccn(C2CCNC2)n1)C1CC1c1ccccc1
InChIInChI=1S/C17H20N4O/c22-17(15-10-14(15)12-4-2-1-3-5-12)19-16-7-9-21(20-16)13-6-8-18-11-13/h1-5,7,9,13-15,18H,6,8,10-11H2,(H,19,20,22)
InChIKeyKWSWOETZZGWMKV-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-phenyl-N-[1-[(3S)-pyrrolidin-3-yl]pyrazol-3-yl]cyclopropane-1-carboxamide
CID 129336211
trans-(1R,2R)-N-[1-(naphthalen-1-ylmethyl)pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 35526195
2-[(1R,3R)-3-methylcyclohexyl]oxy-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]acetamide
CID 129327739
N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]-2-phenylcyclopropane-1-carboxamide
CID 19286942
2-pyridin-3-yl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991658
3-(2-methylpropoxy)-N-(1-pyrrolidin-3-ylpyrazol-3-yl)propanamide
CID 128991650
2-phenyl-N-(4-pyrazol-1-ylphenyl)cyclopropane-1-carboxamide
CID 45154230
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[1-[(3R)-pyrrolidin-3-yl]pyrazol-3-yl]propanamide
CID 129337211
N-(6-chloropyridazin-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 115624549
cis-(1S,2R)-2-(4-bromophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 94814319
2-(4-chlorophenyl)-N-(1-methylpyrazol-3-yl)cyclopropane-1-carboxamide
CID 19405064
cis-(1R,2S)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylcyclopropane-1-carboxamide
CID 2166198

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The IUPAC name of 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide (CID 128964902) is 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The canonical SMILES for 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide is O=C(Nc1ccn(C2CCNC2)n1)C1CC1c1ccccc1.
What is the InChIKey of 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
The InChIKey is KWSWOETZZGWMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(15-10-14(15)12-4-2-1-3-5-12)19-16-7-9-21(20-16)13-6-8-18-11-13/h1-5,7,9,13-15,18H,6,8,10-11H2,(H,19,20,22).
What are the key properties of 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide?
2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(1-pyrrolidin-3-ylpyrazol-3-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 128964902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).