N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

C22H24FN3O — CID 55521016

IUPACN-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C22H24FN3O/c1-4-16(2)25(15-18-10-6-5-7-11-18)22(27)19-14-24-26(17(19)3)21-13-9-8-12-20(21)23/h5-14,16H,4,15H2,1-3H3
InChIKeyXTIZUQVPEZJIIN-UHFFFAOYSA-N
MW365.45 g/mol
LogP4.76
Rot. Bonds6

About N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide

N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 55521016) has the molecular formula C22H24FN3O and a molecular weight of 365.45 g/mol. Its IUPAC name is N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
PubChem CID55521016
Molecular FormulaC22H24FN3O
Molecular Weight365.45 g/mol
Exact Mass365.19
IUPAC NameN-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
SMILESCCC(C)N(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2F)c1C
InChIInChI=1S/C22H24FN3O/c1-4-16(2)25(15-18-10-6-5-7-11-18)22(27)19-14-24-26(17(19)3)21-13-9-8-12-20(21)23/h5-14,16H,4,15H2,1-3H3
InChIKeyXTIZUQVPEZJIIN-UHFFFAOYSA-N
XLogP4.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.45
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(2-fluorophenyl)-N-[(3-fluorophenyl)methyl]-5-methylpyrazole-4-carboxamide
CID 55521664
1-(2-fluorophenyl)-5-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-ylpyrazole-4-carboxamide
CID 137284812
2-[cyclopropyl-[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]propanoic acid
CID 119202793
N-ethyl-1-(2-fluorophenyl)-N-(2-hydroxy-2-methylpropyl)-5-methylpyrazole-4-carboxamide
CID 111596653
N-[2-(diethylamino)-2-oxoethyl]-1-(2-fluorophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 39948043
1-(2-fluorophenyl)-5-methyl-N-[2-oxo-2-(propylamino)ethyl]pyrazole-4-carboxamide
CID 134026091
1-(2-fluorophenyl)-5-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-carboxamide
CID 39561723
1-(2-fluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)-5-methylpyrazole-4-carboxamide
CID 111446698
1-(2-fluorophenyl)-N-[2-(2-fluorophenyl)ethyl]-5-methylpyrazole-4-carboxamide
CID 43049949
N-benzyl-N-butan-2-yl-5-methyl-1H-pyrazole-4-carboxamide
CID 63998851
N-benzyl-N-butan-2-yl-2,6-dimethylpyridine-3-carboxamide
CID 55875368
2-[[1-(2-fluorophenyl)-5-methylpyrazole-4-carbonyl]-(2-methoxyethyl)amino]acetic acid
CID 119189252

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide (CID 55521016) is N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is CCC(C)N(Cc1ccccc1)C(=O)c1cnn(-c2ccccc2F)c1C.
What is the InChIKey of N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is XTIZUQVPEZJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O/c1-4-16(2)25(15-18-10-6-5-7-11-18)22(27)19-14-24-26(17(19)3)21-13-9-8-12-20(21)23/h5-14,16H,4,15H2,1-3H3.
What are the key properties of N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide?
N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 365.45 g/mol, XLogP of 4.76, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-butan-2-yl-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 55521016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).