1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

C18H23N3O2 — CID 166264505

IUPAC1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn(C3CCCC3)c2)cc1
InChIInChI=1S/C18H23N3O2/c1-20(12-14-7-9-17(23-2)10-8-14)18(22)15-11-19-21(13-15)16-5-3-4-6-16/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyLSSLLAVSXYASFB-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.28
Rot. Bonds5

About 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide

1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (PubChem CID 166264505) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
PubChem CID166264505
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)c2cnn(C3CCCC3)c2)cc1
InChIInChI=1S/C18H23N3O2/c1-20(12-14-7-9-17(23-2)10-8-14)18(22)15-11-19-21(13-15)16-5-3-4-6-16/h7-11,13,16H,3-6,12H2,1-2H3
InChIKeyLSSLLAVSXYASFB-UHFFFAOYSA-N
XLogP3.28
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 176504133
N-[(4-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119680469
N,1-dimethyl-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 86924886
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
6-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 63979680
N-[(4-methoxyphenyl)methyl]-N-methyl-4-[(3-methylpiperidin-1-yl)methyl]benzamide
CID 43876397
N-[(4-methoxyphenyl)methyl]-N-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24641346
N-[(4-chlorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 86908026
1-[(4-methoxyphenyl)methyl]-1-methyl-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 136527849
2-(cyclopentylamino)-N-[(4-methoxyphenyl)methyl]-N-methylacetamide
CID 60686888
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631233
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 55699690

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide (CID 166264505) is 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is COc1ccc(CN(C)C(=O)c2cnn(C3CCCC3)c2)cc1.
What is the InChIKey of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is LSSLLAVSXYASFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20(12-14-7-9-17(23-2)10-8-14)18(22)15-11-19-21(13-15)16-5-3-4-6-16/h7-11,13,16H,3-6,12H2,1-2H3.
What are the key properties of 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide?
1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 166264505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).