(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C9H14N4O — CID 94916818

IUPAC(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)[C@H]1CCNC1
InChIInChI=1S/C9H14N4O/c14-9(7-1-3-10-5-7)11-6-8-2-4-12-13-8/h2,4,7,10H,1,3,5-6H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyWLOWRVXBHDMBME-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.36
Rot. Bonds3

About (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 94916818) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID94916818
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1ccn[nH]1)[C@H]1CCNC1
InChIInChI=1S/C9H14N4O/c14-9(7-1-3-10-5-7)11-6-8-2-4-12-13-8/h2,4,7,10H,1,3,5-6H2,(H,11,14)(H,12,13)/t7-/m0/s1
InChIKeyWLOWRVXBHDMBME-ZETCQYMHSA-N
XLogP-0.36
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 ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxo-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 112731393
2-methyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 106739789
5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 78983105
1-acetyl-N-(1H-pyrazol-5-ylmethyl)piperidine-4-carboxamide
CID 60976301
(3S)-N-benzylpyrrolidine-3-carboxamide
CID 94915415
(3S)-N-(1,3-thiazol-2-ylmethyl)pyrrolidine-3-carboxamide
CID 94916816
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
2-(1H-pyrazol-5-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61283327
(2S)-N-(1H-pyrazol-5-ylmethyl)oxolane-2-carboxamide
CID 103872510
4-[(pyrrolidine-3-carbonylamino)methyl]benzoic acid
CID 63005459
N-[(6-methyl-3-pyridinyl)methyl]pyrrolidine-3-carboxamide
CID 63005233
N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119869411

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 94916818) is (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1ccn[nH]1)[C@H]1CCNC1.
What is the InChIKey of (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is WLOWRVXBHDMBME-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c14-9(7-1-3-10-5-7)11-6-8-2-4-12-13-8/h2,4,7,10H,1,3,5-6H2,(H,11,14)(H,12,13)/t7-/m0/s1.
What are the key properties of (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
(3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 94916818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).