N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide

C20H20ClN3O — CID 11451055

IUPACN-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn(-c2cccc(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C20H20ClN3O/c1-20(2,3)23-19(25)15-12-22-24(13-15)16-8-6-7-14(11-16)17-9-4-5-10-18(17)21/h4-13H,1-3H3,(H,23,25)
InChIKeyPJTZLGFRTFOXRJ-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.72
Rot. Bonds3

About N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide

N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide (PubChem CID 11451055) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide
PubChem CID11451055
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC NameN-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide
SMILESCC(C)(C)NC(=O)c1cnn(-c2cccc(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C20H20ClN3O/c1-20(2,3)23-19(25)15-12-22-24(13-15)16-8-6-7-14(11-16)17-9-4-5-10-18(17)21/h4-13H,1-3H3,(H,23,25)
InChIKeyPJTZLGFRTFOXRJ-UHFFFAOYSA-N
XLogP4.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2-chlorophenyl)benzamide
CID 174761661
1-(3-chlorophenyl)-N-(2-phenylphenyl)pyrazole-4-carboxamide
CID 52694723
4-[[1-(3-chlorophenyl)pyrazole-4-carbonyl]amino]-4-methylpentanoic acid
CID 119204645
N-[3-(aminomethyl)pentan-3-yl]-1-(3-chlorophenyl)pyrazole-4-carboxamide
CID 119571092
N-[2-(2-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 50772841
N-(1-amino-2,4-dimethylpentan-2-yl)-1-(3-chlorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 119599531
N'-(4-tert-butylbenzoyl)-1-phenylpyrazole-4-carbohydrazide
CID 9327562
N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955
1-(3-chlorophenyl)-N-[(3S)-3-hydroxybutyl]pyrazole-4-carboxamide
CID 95980723
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide (CID 11451055) is N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide is CC(C)(C)NC(=O)c1cnn(-c2cccc(-c3ccccc3Cl)c2)c1.
What is the InChIKey of N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is PJTZLGFRTFOXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c1-20(2,3)23-19(25)15-12-22-24(13-15)16-8-6-7-14(11-16)17-9-4-5-10-18(17)21/h4-13H,1-3H3,(H,23,25).
What are the key properties of N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide?
N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-[3-(2-chlorophenyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 11451055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).