N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C25H21FN4O2 — CID 55887741

IUPACN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1C
InChIInChI=1S/C25H21FN4O2/c1-16-7-3-4-12-23(16)30-17(2)22(15-27-30)25(32)29-20-10-5-8-18(13-20)24(31)28-21-11-6-9-19(26)14-21/h3-15H,1-2H3,(H,28,31)(H,29,32)
InChIKeyCGCBQEAQIXWKBM-UHFFFAOYSA-N
MW428.47 g/mol
LogP5.13
Rot. Bonds5

About N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55887741) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55887741
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccccc1-n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1C
InChIInChI=1S/C25H21FN4O2/c1-16-7-3-4-12-23(16)30-17(2)22(15-27-30)25(32)29-20-10-5-8-18(13-20)24(31)28-21-11-6-9-19(26)14-21/h3-15H,1-2H3,(H,28,31)(H,29,32)
InChIKeyCGCBQEAQIXWKBM-UHFFFAOYSA-N
XLogP5.13
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.47
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592
1-(2-fluorophenyl)-5-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide
CID 33398323
N-(3,4-dichlorophenyl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 34735906
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
methyl 2,4-difluoro-5-[[5-methyl-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]benzoate
CID 78860098
1-(2-fluorophenyl)-5-methyl-N-(4-methylphenyl)pyrazole-4-carboxamide
CID 33398860
N-[3-[(5-bromo-2-pyridinyl)carbamoyl]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 60614952
5-[(3-fluorobenzoyl)amino]-N-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1347968
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55902341
1-(2-fluorophenyl)-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxamide
CID 55520761
1-(4-fluorophenyl)-5-methyl-N-[3-(methylcarbamoylamino)phenyl]pyrazole-4-carboxamide
CID 31814622

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55887741) is N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C(=O)Nc3cccc(F)c3)c2)c1C.
What is the InChIKey of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is CGCBQEAQIXWKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c1-16-7-3-4-12-23(16)30-17(2)22(15-27-30)25(32)29-20-10-5-8-18(13-20)24(31)28-21-11-6-9-19(26)14-21/h3-15H,1-2H3,(H,28,31)(H,29,32).
What are the key properties of N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 428.47 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenyl)carbamoyl]phenyl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55887741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).