N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide

C19H18ClN3O — CID 55754908

IUPACN-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C19H18ClN3O/c1-14-11-18(21-23(14)17-9-4-3-5-10-17)19(24)22(2)13-15-7-6-8-16(20)12-15/h3-12H,13H2,1-2H3
InChIKeyYBQOXSKEFATION-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.11
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide

N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55754908) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
PubChem CID55754908
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC NameN-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C19H18ClN3O/c1-14-11-18(21-23(14)17-9-4-3-5-10-17)19(24)22(2)13-15-7-6-8-16(20)12-15/h3-12H,13H2,1-2H3
InChIKeyYBQOXSKEFATION-UHFFFAOYSA-N
XLogP4.11
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55761446
N,5-dimethyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]-1-phenylpyrazole-3-carboxamide
CID 71985750
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55757404
N-[(3-chlorophenyl)methyl]-N-methyl-3-(tetrazol-1-yl)benzamide
CID 43010400
N-[(3-fluorophenyl)methyl]-N-methyl-1-phenyl-5-(propanoylamino)pyrazole-3-carboxamide
CID 51998819
5-acetamido-N-[(4-fluorophenyl)methyl]-N-methyl-1-phenylpyrazole-3-carboxamide
CID 51999403
1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 75446709
N-[(3-chlorophenyl)methyl]-N-methyl-1-phenyl-3-pyridin-3-ylpyrazole-4-carboxamide
CID 22110546

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (CID 55754908) is N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cccc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is YBQOXSKEFATION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-14-11-18(21-23(14)17-9-4-3-5-10-17)19(24)22(2)13-15-7-6-8-16(20)12-15/h3-12H,13H2,1-2H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 339.83 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55754908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).