5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide

C15H19ClN4O — CID 110336233

IUPAC5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-8-17-15(21)13-10-14(20(3)18-13)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyRBOZHYVNLJQIOE-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.03
Rot. Bonds5

About 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide

5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 110336233) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID110336233
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1
InChIInChI=1S/C15H19ClN4O/c1-19(2)9-8-17-15(21)13-10-14(20(3)18-13)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21)
InChIKeyRBOZHYVNLJQIOE-UHFFFAOYSA-N
XLogP2.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336121
5-(4-chlorophenyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-3-carboxamide
CID 110336244
5-(4-chlorophenyl)-N,N-diethyl-1-methylpyrazole-3-carboxamide
CID 110336255
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-5-(furan-2-yl)pyrazole-3-carboxamide
CID 112811290
5-(5-chlorothiophen-2-yl)-N-[3-(dimethylamino)propyl]-1-methylpyrazole-3-carboxamide
CID 110336642
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110309064
1-methyl-5-(4-methylphenyl)-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357214
5-(3,4-dichlorophenyl)-1-methyl-N-(2-methylsulfonylethyl)pyrazole-3-carboxamide
CID 110357218
5-(1,3-benzodioxol-5-yl)-N-[(4-chlorophenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 110336837
N-(4-acetamidobutyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110356838
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-(4-fluoro-3-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110307168
N-(2-benzamidoethyl)-5-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110309443

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide (CID 110336233) is 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide is CN(C)CCNC(=O)c1cc(-c2ccc(Cl)cc2)n(C)n1.
What is the InChIKey of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is RBOZHYVNLJQIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-19(2)9-8-17-15(21)13-10-14(20(3)18-13)11-4-6-12(16)7-5-11/h4-7,10H,8-9H2,1-3H3,(H,17,21).
What are the key properties of 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide?
5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 306.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).