5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide

C15H18ClN3O — CID 110336255

IUPAC5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyUNOUDFTUDASZOK-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.22
Rot. Bonds4

About 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide (PubChem CID 110336255) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
PubChem CID110336255
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3
InChIKeyUNOUDFTUDASZOK-UHFFFAOYSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
CID 110336233
5-(4-chlorophenyl)-N-(1,1-dioxothiolan-3-yl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 110336249
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
5-(4-chlorophenyl)-1-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide
CID 92613543
5-[(4-chlorophenyl)methyl]-N,N-diethyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 42875171
5-(4-chlorophenyl)-1-methyl-N-(oxolan-2-ylmethyl)-N-(pyridin-2-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 171700054
4-[5-(4-chlorophenyl)-1-methylpyrazole-3-carbonyl]piperazine-1-carbaldehyde
CID 110336238
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
ethyl 5-(3,4-dichlorophenyl)-1-methylpyrazole-3-carboxylate
CID 67452186
5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxylic acid
CID 71292511

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide (CID 110336255) is 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
The InChIKey is UNOUDFTUDASZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-4-19(5-2)15(20)13-10-14(18(3)17-13)11-6-8-12(16)9-7-11/h6-10H,4-5H2,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide has a molecular weight of 291.78 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).