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

C22H24FN3O — CID 7271774

IUPACN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H24FN3O/c1-5-16(4)24-22(27)21-13-19(17-8-6-7-9-18(17)23)25-26(21)20-11-10-14(2)12-15(20)3/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyOZZMWVIOKXHAKU-INIZCTEOSA-N
MW365.45 g/mol
LogP4.82
Rot. Bonds5

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

N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide (PubChem CID 7271774) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
PubChem CID7271774
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
SMILESCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nn1-c1ccc(C)cc1C
InChIInChI=1S/C22H24FN3O/c1-5-16(4)24-22(27)21-13-19(17-8-6-7-9-18(17)23)25-26(21)20-11-10-14(2)12-15(20)3/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1
InChIKeyOZZMWVIOKXHAKU-INIZCTEOSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-phenylpyrazole-5-carboxamide
CID 812204
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxylic acid
CID 812149
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7289215
1-(2,4-dimethylphenyl)-N,3-bis(2-fluorophenyl)pyrazole-5-carboxamide
CID 3957723
N-butan-2-yl-1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide
CID 42754822
N-[(2R)-butan-2-yl]-3-(2-fluorophenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 7412332
1-(2,4-dimethylphenyl)-3-(4-fluorophenyl)-N-[(1R)-1-phenylethyl]pyrazole-5-carboxamide
CID 7337494
1-(2,5-dimethylphenyl)-3-(2-fluorophenyl)-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4046396
1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazol-5-amine
CID 43381660
N-[(2S)-butan-2-yl]-1-(2-chlorophenyl)-3-(3,4-dimethylphenyl)pyrazole-5-carboxamide
CID 7218983
N-butan-2-yl-1-(2,5-dimethylphenyl)-3-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3294656
N-butyl-3-(2-fluorophenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 3928808

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The IUPAC name of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide (CID 7271774) is N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide is CC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nn1-c1ccc(C)cc1C.
What is the InChIKey of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
The InChIKey is OZZMWVIOKXHAKU-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-5-16(4)24-22(27)21-13-19(17-8-6-7-9-18(17)23)25-26(21)20-11-10-14(2)12-15(20)3/h6-13,16H,5H2,1-4H3,(H,24,27)/t16-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide?
N-[(2S)-butan-2-yl]-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)pyrazole-5-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.82, 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-(2-fluorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 7271774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).