N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide

C18H22ClN3O — CID 42686092

IUPACN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C1CCCC1
InChIInChI=1S/C18H22ClN3O/c1-2-6-15-17(20-18(23)12-7-3-4-8-12)16(22-21-15)13-9-5-10-14(19)11-13/h5,9-12H,2-4,6-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyRGSBFNRCZZOANF-UHFFFAOYSA-N
MW331.85 g/mol
LogP4.81
Rot. Bonds5

About N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 42686092) has the molecular formula C18H22ClN3O and a molecular weight of 331.85 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID42686092
Molecular FormulaC18H22ClN3O
Molecular Weight331.85 g/mol
Exact Mass331.15
IUPAC NameN-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C1CCCC1
InChIInChI=1S/C18H22ClN3O/c1-2-6-15-17(20-18(23)12-7-3-4-8-12)16(22-21-15)13-9-5-10-14(19)11-13/h5,9-12H,2-4,6-8H2,1H3,(H,20,23)(H,21,22)
InChIKeyRGSBFNRCZZOANF-UHFFFAOYSA-N
XLogP4.81
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.85
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-methylpropanamide
CID 42686082
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,3-dimethylbutanamide
CID 42686085
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-3,5-difluorobenzamide
CID 42686102
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]-2,4-difluorobenzamide
CID 42686101
N-[3-(2,5-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42685811
2-(4-chlorophenoxy)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]acetamide
CID 42874098
N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylacetamide
CID 42686943
N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 42686326
(2R)-N-[3-(3-fluorophenyl)-5-propyl-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005134
N-[3-(4-methoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42686759
N-(2,6-dichlorophenyl)cyclohexanecarboxamide
CID 897145

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 42686092) is N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide is CCCc1[nH]nc(-c2cccc(Cl)c2)c1NC(=O)C1CCCC1.
What is the InChIKey of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is RGSBFNRCZZOANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O/c1-2-6-15-17(20-18(23)12-7-3-4-8-12)16(22-21-15)13-9-5-10-14(19)11-13/h5,9-12H,2-4,6-8H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 331.85 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)-5-propyl-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42686092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).