(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide

C15H22N4O2 — CID 95299279

IUPAC(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C15H22N4O2/c20-14-9-11(15(21)17-13-7-8-16-18-13)10-19(14)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,16,17,18,21)/t11-/m1/s1
InChIKeyMKJSIWLOUXULLD-LLVKDONJSA-N
MW290.37 g/mol
LogP1.92
Rot. Bonds3

About (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide

(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 95299279) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID95299279
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccn[nH]1)[C@@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C15H22N4O2/c20-14-9-11(15(21)17-13-7-8-16-18-13)10-19(14)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,16,17,18,21)/t11-/m1/s1
InChIKeyMKJSIWLOUXULLD-LLVKDONJSA-N
XLogP1.92
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-5-yl)cycloheptanecarboxamide
CID 60616368
1-ethyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide
CID 61393728
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(4-acetamidophenyl)-1-cycloheptyl-5-oxopyrrolidine-3-carboxamide
CID 113185550
1-cyclohexyl-N-(1H-indazol-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 110678542
(3R)-1-cyclohexyl-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40596002
(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 6920596
1-cyclopentyl-5-oxo-N-(1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 17081286
1-cyclohexyl-N-(2,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2927358
1-cyclopentyl-5-oxo-N-(2-propan-2-ylpyrazol-3-yl)pyrrolidine-3-carboxamide
CID 42916133
1-cyclobutyl-N-(3,4-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 110687616
(3S)-N-(4-acetylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 802193

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide (CID 95299279) is (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide is O=C(Nc1ccn[nH]1)[C@@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is MKJSIWLOUXULLD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-14-9-11(15(21)17-13-7-8-16-18-13)10-19(14)12-5-3-1-2-4-6-12/h7-8,11-12H,1-6,9-10H2,(H2,16,17,18,21)/t11-/m1/s1.
What are the key properties of (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide?
(3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cycloheptyl-5-oxo-N-(1H-pyrazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 95299279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).