1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide

C14H16ClN3O — CID 142418090

IUPAC1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-9-8-13(14(19)16-3)17-18(9)10(2)11-6-4-5-7-12(11)15/h4-8,10H,1-3H3,(H,16,19)
InChIKeyMXZFKAQXRBGYNE-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.81
Rot. Bonds3

About 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide

1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide (PubChem CID 142418090) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide
PubChem CID142418090
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide
SMILESCNC(=O)c1cc(C)n(C(C)c2ccccc2Cl)n1
InChIInChI=1S/C14H16ClN3O/c1-9-8-13(14(19)16-3)17-18(9)10(2)11-6-4-5-7-12(11)15/h4-8,10H,1-3H3,(H,16,19)
InChIKeyMXZFKAQXRBGYNE-UHFFFAOYSA-N
XLogP2.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,5-dimethyl-1-(1-phenylpropyl)pyrazole-3-carboxamide
CID 167263143
5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
methyl 1-[(1S)-1-(2-fluorophenyl)ethyl]-3-(methylcarbamoyl)pyrazole-5-carboxylate
CID 146992793
1,5-dimethyl-N-(2-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110685790
5-N-[(2S)-butan-2-yl]-3-N-methyl-1-(1-phenylethyl)pyrazole-3,5-dicarboxamide
CID 167262141
3-(methylcarbamoyl)-1-(1-phenylpropyl)pyrazole-5-carboxylic acid
CID 167262660
1-[2-[(1R)-1-hydroxyethyl]phenyl]-N-methylpyrazole-3-carboxamide
CID 79001114
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 55022520
1-ethyl-N,5-dimethylpyrazole-3-carboxamide
CID 58497357
3-[1-(2-chlorophenyl)ethylamino]-N-methylbenzamide
CID 43181477
N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681595
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide (CID 142418090) is 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide is CNC(=O)c1cc(C)n(C(C)c2ccccc2Cl)n1.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide?
The InChIKey is MXZFKAQXRBGYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-9-8-13(14(19)16-3)17-18(9)10(2)11-6-4-5-7-12(11)15/h4-8,10H,1-3H3,(H,16,19).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide?
1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-N,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 142418090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).