5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide

C9H12N4O2 — CID 168697470

IUPAC5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccn[nH]2)C1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-3-8(14)13(4-6)5-7-1-2-11-12-7/h1-2,6H,3-5H2,(H2,10,15)(H,11,12)
InChIKeyINFHUOPIGRGMHM-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.76
Rot. Bonds3

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

5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 168697470) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID168697470
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(Cc2ccn[nH]2)C1
InChIInChI=1S/C9H12N4O2/c10-9(15)6-3-8(14)13(4-6)5-7-1-2-11-12-7/h1-2,6H,3-5H2,(H2,10,15)(H,11,12)
InChIKeyINFHUOPIGRGMHM-UHFFFAOYSA-N
XLogP-0.76
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 4963914
5-oxo-1-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 168697414
1-[(6-bromo-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697385
(3S)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586169
(3R)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 40586168
1-[(2-methoxy-3-pyridinyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168696642
1-[[3-(hydroxymethyl)phenyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697437
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
CID 168702984
1-[(2,4-difluorophenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 168697391
1-(isoquinolin-4-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 168697461
1-methyl-5-oxo-N-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide
CID 61218006
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide (CID 168697470) is 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(Cc2ccn[nH]2)C1.
What is the InChIKey of 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is INFHUOPIGRGMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c10-9(15)6-3-8(14)13(4-6)5-7-1-2-11-12-7/h1-2,6H,3-5H2,(H2,10,15)(H,11,12).
What are the key properties of 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide?
5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(1H-pyrazol-5-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 168697470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).