N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

C14H13ClN4O2 — CID 78982635

IUPACN-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CN1
InChIInChI=1S/C14H13ClN4O2/c15-10-2-3-12(19-5-1-4-17-19)11(7-10)18-14(21)9-6-13(20)16-8-9/h1-5,7,9H,6,8H2,(H,16,20)(H,18,21)
InChIKeyUYZLCXFPKVJKKV-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.60
Rot. Bonds3

About N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 78982635) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID78982635
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC NameN-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CN1
InChIInChI=1S/C14H13ClN4O2/c15-10-2-3-12(19-5-1-4-17-19)11(7-10)18-14(21)9-6-13(20)16-8-9/h1-5,7,9H,6,8H2,(H,16,20)(H,18,21)
InChIKeyUYZLCXFPKVJKKV-UHFFFAOYSA-N
XLogP1.60
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
(3R)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 81119455
(2S)-N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-2-carboxamide
CID 104913192
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
N-(4-chloro-2-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 103766910
N-(5-chloro-2-pyrazol-1-ylphenyl)-2,2-difluoroacetamide
CID 103515148
N-(5-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193218
5-oxo-N-(4-pyrazol-1-ylphenyl)pyrrolidine-3-carboxamide
CID 78981738
N-(6-chloroquinolin-8-yl)-5-oxopyrrolidine-3-carboxamide
CID 78981565
2-[2-(5-chloro-2-pyrazol-1-ylanilino)-2-oxoethyl]sulfanylacetic acid
CID 104569143
N-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 83193364
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 78982635) is N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is O=C1CC(C(=O)Nc2cc(Cl)ccc2-n2cccn2)CN1.
What is the InChIKey of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UYZLCXFPKVJKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-10-2-3-12(19-5-1-4-17-19)11(7-10)18-14(21)9-6-13(20)16-8-9/h1-5,7,9H,6,8H2,(H,16,20)(H,18,21).
What are the key properties of N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrazol-1-ylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78982635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).