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

C22H25N3O — CID 812204

IUPACN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O/c1-5-17(4)23-22(26)21-14-19(18-9-7-6-8-10-18)24-25(21)20-12-11-15(2)13-16(20)3/h6-14,17H,5H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyCCUZWEYGVWAQEN-KRWDZBQOSA-N
MW347.46 g/mol
LogP4.68
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide (PubChem CID 812204) has the molecular formula C22H25N3O and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
PubChem CID812204
Molecular FormulaC22H25N3O
Molecular Weight347.46 g/mol
Exact Mass347.20
IUPAC NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H25N3O/c1-5-17(4)23-22(26)21-14-19(18-9-7-6-8-10-18)24-25(21)20-12-11-15(2)13-16(20)3/h6-14,17H,5H2,1-4H3,(H,23,26)/t17-/m0/s1
InChIKeyCCUZWEYGVWAQEN-KRWDZBQOSA-N
XLogP4.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 7271774
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
N-[(2S)-butan-2-yl]-2,5-diphenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93008842
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
N-benzhydryl-1-(2,5-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 42754685
N-[5-(diethylamino)pentan-2-yl]-1-(2,4-dimethylphenyl)-3-(1-methylpyrrol-2-yl)pyrazole-5-carboxamide
CID 3603848
N-[(2R)-pentan-2-yl]-1,3-diphenylpyrazole-5-carboxamide
CID 7930702
1-(3-methylphenyl)-3-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 42758329
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(1S)-1-phenylethyl]pyrazole-5-carboxamide
CID 1053790
N-[(2R)-butan-2-yl]-3-(3-methoxyphenyl)-1-(4-methylphenyl)pyrazole-5-carboxamide
CID 7431429

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide (CID 812204) is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccccc2)nn1-c1ccc(C)cc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
The InChIKey is CCUZWEYGVWAQEN-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25N3O/c1-5-17(4)23-22(26)21-14-19(18-9-7-6-8-10-18)24-25(21)20-12-11-15(2)13-16(20)3/h6-14,17H,5H2,1-4H3,(H,23,26)/t17-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 4.68, 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-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 812204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).