2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

C15H17ClN4O — CID 167879678

IUPAC2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1C1CCNC1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-2-10(6-12)7-14(21)19-13-9-18-20-15(13)11-4-5-17-8-11/h1-3,6,9,11,17H,4-5,7-8H2,(H,18,20)(H,19,21)
InChIKeyCKMYCQJNAUESHT-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.32
Rot. Bonds4

About 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide

2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (PubChem CID 167879678) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
PubChem CID167879678
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
SMILESO=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1C1CCNC1
InChIInChI=1S/C15H17ClN4O/c16-12-3-1-2-10(6-12)7-14(21)19-13-9-18-20-15(13)11-4-5-17-8-11/h1-3,6,9,11,17H,4-5,7-8H2,(H,18,20)(H,19,21)
InChIKeyCKMYCQJNAUESHT-UHFFFAOYSA-N
XLogP2.32
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-3-methoxyphenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 138032035
2-(3-chlorophenyl)-N-(5-methyl-1H-pyrazol-4-yl)acetamide
CID 154858274
3-(2,3-difluorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)propanamide
CID 138032018
2-(1-methylindol-3-yl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 167750295
2-(3-chlorophenyl)-N-(3-methylpiperidin-4-yl)acetamide;hydrochloride
CID 120553915
2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
N-[(3-chlorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119673574
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
2-(3-chlorophenyl)-1-piperidin-3-ylethanone
CID 82083987
2-(3-chlorophenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119554353
(3S)-3-[4-(3-chlorophenyl)-1H-pyrazol-5-yl]piperidine
CID 124858934
2-(3,5-difluorophenyl)-2-methoxy-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide
CID 154854680

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide (CID 167879678) is 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is O=C(Cc1cccc(Cl)c1)Nc1cn[nH]c1C1CCNC1.
What is the InChIKey of 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
The InChIKey is CKMYCQJNAUESHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c16-12-3-1-2-10(6-12)7-14(21)19-13-9-18-20-15(13)11-4-5-17-8-11/h1-3,6,9,11,17H,4-5,7-8H2,(H,18,20)(H,19,21).
What are the key properties of 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide?
2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide has a molecular weight of 304.78 g/mol, XLogP of 2.32, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-(5-pyrrolidin-3-yl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 167879678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).