N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide

C17H20ClN3O — CID 42687166

IUPACN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNQIYEWHVRNHTSC-UHFFFAOYSA-N
MW317.82 g/mol
LogP4.56
Rot. Bonds4

About N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide

N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide (PubChem CID 42687166) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
PubChem CID42687166
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC NameN-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide
SMILESCc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1
InChIInChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21)
InChIKeyNQIYEWHVRNHTSC-UHFFFAOYSA-N
XLogP4.56
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopentyl-N-[5-methyl-3-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]acetamide
CID 42686510
2-cyclobutyl-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 103706885
2-cyclopentyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115610162
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thian-4-yl)acetamide
CID 80709462
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]-2-(oxan-4-yl)acetamide
CID 138997880
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 95616896
2-cyclopentyl-N-(1H-indazol-3-yl)acetamide
CID 55023308
N-(4-bromo-2,6-dichlorophenyl)-2-cyclopentylacetamide
CID 68711978
2-(2-cyclopentylethylamino)-N-(2,6-dichlorophenyl)acetamide
CID 60919366
2-(azetidin-3-yl)-N-(2-chloro-6-methylphenyl)acetamide
CID 66254744
2-cyclopentyl-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methylacetamide
CID 7780171
2-(azetidin-3-yl)-N-(2,6-dichlorophenyl)acetamide
CID 65469553

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The IUPAC name of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide (CID 42687166) is N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide is Cc1[nH]nc(-c2ccccc2Cl)c1NC(=O)CC1CCCC1.
What is the InChIKey of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
The InChIKey is NQIYEWHVRNHTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O/c1-11-16(19-15(22)10-12-6-2-3-7-12)17(21-20-11)13-8-4-5-9-14(13)18/h4-5,8-9,12H,2-3,6-7,10H2,1H3,(H,19,22)(H,20,21).
What are the key properties of N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide?
N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide has a molecular weight of 317.82 g/mol, XLogP of 4.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)-5-methyl-1H-pyrazol-4-yl]-2-cyclopentylacetamide is sourced from PubChem (CID 42687166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).