2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide

C9H14N4O — CID 158189270

IUPAC2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cn[nH]c1)N[C@H]1CCNC1
InChIInChI=1S/C9H14N4O/c14-9(3-7-4-11-12-5-7)13-8-1-2-10-6-8/h4-5,8,10H,1-3,6H2,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyDDGYULKPTNKWES-QMMMGPOBSA-N
MW194.24 g/mol
LogP-0.57
Rot. Bonds3

About 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide

2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide (PubChem CID 158189270) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
PubChem CID158189270
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide
SMILESO=C(Cc1cn[nH]c1)N[C@H]1CCNC1
InChIInChI=1S/C9H14N4O/c14-9(3-7-4-11-12-5-7)13-8-1-2-10-6-8/h4-5,8,10H,1-3,6H2,(H,11,12)(H,13,14)/t8-/m0/s1
InChIKeyDDGYULKPTNKWES-QMMMGPOBSA-N
XLogP-0.57
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-isobutyl-N-methyl-5-oxo-N-[2-(1H-pyrazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 50973302
6-(1H-pyrazol-4-yl)piperazin-2-one dihydrochloride
CID 165455541
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 86808415
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-2-pyrrolidin-1-ylpropanamide
CID 119069590
6-(1H-Pyrazol-4-yl)piperazin-2-one
CID 139343789
5-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide
CID 103856082
4,4,4-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856494
3,3,3-trifluoro-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856620
N-[1-(1H-pyrazol-4-yl)ethyl]-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106212818
2-amino-3,3,3-trifluoro-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212822
N-[1-(1H-pyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 113339606

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide (CID 158189270) is 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide is O=C(Cc1cn[nH]c1)N[C@H]1CCNC1.
What is the InChIKey of 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
The InChIKey is DDGYULKPTNKWES-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(3-7-4-11-12-5-7)13-8-1-2-10-6-8/h4-5,8,10H,1-3,6H2,(H,11,12)(H,13,14)/t8-/m0/s1.
What are the key properties of 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide?
2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-4-yl)-N-[(3S)-pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 158189270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).