5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

C27H25FN4O2 — CID 157308119

IUPAC5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2C(N)=O)cc1
InChIInChI=1S/C27H25FN4O2/c1-17-2-4-18(5-3-17)8-15-23-25(26(29)33)24(32-31-23)16-19-6-13-22(14-7-19)30-27(34)20-9-11-21(28)12-10-20/h2-7,9-14H,8,15-16H2,1H3,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyPFRGWOLRAZYHJU-UHFFFAOYSA-N
MW456.52 g/mol
LogP4.58
Rot. Bonds8

About 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide

5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (PubChem CID 157308119) has the molecular formula C27H25FN4O2 and a molecular weight of 456.52 g/mol. Its IUPAC name is 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
PubChem CID157308119
Molecular FormulaC27H25FN4O2
Molecular Weight456.52 g/mol
Exact Mass456.20
IUPAC Name5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
SMILESCc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2C(N)=O)cc1
InChIInChI=1S/C27H25FN4O2/c1-17-2-4-18(5-3-17)8-15-23-25(26(29)33)24(32-31-23)16-19-6-13-22(14-7-19)30-27(34)20-9-11-21(28)12-10-20/h2-7,9-14H,8,15-16H2,1H3,(H2,29,33)(H,30,34)(H,31,32)
InChIKeyPFRGWOLRAZYHJU-UHFFFAOYSA-N
XLogP4.58
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-[[4-(hydroxymethyl)benzoyl]amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 159243762
5-[(4-tert-butylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 157414994
5-[(4-benzylphenyl)methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 158341999
4-methyl-N-[4-[[4-[(4-methylbenzoyl)amino]phenyl]methyl]phenyl]benzamide
CID 2330632
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-[4-(2-aminoethyl)phenyl]-4-methylbenzamide
CID 28754500
4-fluoro-N-[6-[(4-methylphenyl)methylamino]-3-pyridinyl]benzamide
CID 113011762
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]-4-methylbenzamide
CID 113012110
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
4-methyl-N-[4-(methylaminomethyl)phenyl]benzamide
CID 106909933
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide (CID 157308119) is 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is Cc1ccc(CCc2n[nH]c(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)c2C(N)=O)cc1.
What is the InChIKey of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
The InChIKey is PFRGWOLRAZYHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN4O2/c1-17-2-4-18(5-3-17)8-15-23-25(26(29)33)24(32-31-23)16-19-6-13-22(14-7-19)30-27(34)20-9-11-21(28)12-10-20/h2-7,9-14H,8,15-16H2,1H3,(H2,29,33)(H,30,34)(H,31,32).
What are the key properties of 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide?
5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 456.52 g/mol, XLogP of 4.58, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(4-fluorobenzoyl)amino]phenyl]methyl]-3-[2-(4-methylphenyl)ethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 157308119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).