N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide

C22H24ClN3O — CID 7218983

IUPACN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O/c1-5-16(4)24-22(27)21-13-19(17-11-10-14(2)15(3)12-17)25-26(21)20-9-7-6-8-18(20)23/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyQIILOTSTEINDLE-INIZCTEOSA-N
MW381.91 g/mol
LogP5.34
Rot. Bonds5

About N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide

N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (PubChem CID 7218983) has the molecular formula C22H24ClN3O and a molecular weight of 381.91 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
PubChem CID7218983
Molecular FormulaC22H24ClN3O
Molecular Weight381.91 g/mol
Exact Mass381.16
IUPAC NameN-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1Cl
InChIInChI=1S/C22H24ClN3O/c1-5-16(4)24-22(27)21-13-19(17-11-10-14(2)15(3)12-17)25-26(21)20-9-7-6-8-18(20)23/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyQIILOTSTEINDLE-INIZCTEOSA-N
XLogP5.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.91
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 1053631
N-butan-2-yl-1-(2-chlorophenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3943939
N-[(2R)-butan-2-yl]-1-(2-chlorophenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 7249045
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(5-methylfuran-2-yl)pyrazole-5-carboxamide
CID 7271587
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3403383
1-(2-chlorophenyl)-N-(3-methylbutyl)-3-phenylpyrazole-5-carboxamide
CID 3565109
[1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 3926712
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
1-(2-chlorophenyl)-3-[4-(2-methylpropyl)phenyl]pyrazole-5-carboxylic acid
CID 5094292
N-butan-2-yl-3-(2-chlorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42759382

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide (CID 7218983) is N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccccc1Cl.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
The InChIKey is QIILOTSTEINDLE-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24ClN3O/c1-5-16(4)24-22(27)21-13-19(17-11-10-14(2)15(3)12-17)25-26(21)20-9-7-6-8-18(20)23/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 5.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7218983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).