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

C20H20ClN3O — CID 55761446

IUPACN-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-14-12-19(22-24(14)18-10-5-4-6-11-18)20(25)23(3)15(2)16-8-7-9-17(21)13-16/h4-13,15H,1-3H3
InChIKeyDIGMFLRWQHECEE-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.67
Rot. Bonds4

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

N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (PubChem CID 55761446) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
PubChem CID55761446
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N(C)C(C)c2cccc(Cl)c2)nn1-c1ccccc1
InChIInChI=1S/C20H20ClN3O/c1-14-12-19(22-24(14)18-10-5-4-6-11-18)20(25)23(3)15(2)16-8-7-9-17(21)13-16/h4-13,15H,1-3H3
InChIKeyDIGMFLRWQHECEE-UHFFFAOYSA-N
XLogP4.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 55754908
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethylpyrazine-2-carboxamide
CID 47161938
6-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridazine-3-carboxamide
CID 62978753
4-amino-N-[1-(3-chlorophenyl)ethyl]-N,1,3-trimethylpyrazole-5-carboxamide
CID 66123414
1-(3-chlorophenyl)-N-(3,5-dimethyl-1,2-oxazol-4-yl)-N,5-dimethylpyrazole-3-carboxamide
CID 75446709
2-[[1-(3,4-dichlorophenyl)-5-methylpyrazole-3-carbonyl]-methylamino]propanoic acid
CID 120520399
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
5-methyl-1-phenylpyrazole-3-carboxylic acid
CID 698388
2-[[1-(3-chlorophenyl)-5-methylpyrazole-3-carbonyl]-cyclopropylamino]acetic acid
CID 120517696
N-(3-chloro-4-methoxyphenyl)-N,5-dimethyl-1-phenylpyrazole-3-carboxamide
CID 99714138
4-[1-(3-chlorophenyl)ethyl-methylamino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992749
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide (CID 55761446) is N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is Cc1cc(C(=O)N(C)C(C)c2cccc(Cl)c2)nn1-c1ccccc1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is DIGMFLRWQHECEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-14-12-19(22-24(14)18-10-5-4-6-11-18)20(25)23(3)15(2)16-8-7-9-17(21)13-16/h4-13,15H,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-N,5-dimethyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55761446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).