N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide

C31H26N4O2 — CID 176857902

IUPACN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(-c3cc(NC(=O)c4ccccc4)n(C)n3)cc2)cc1
InChIInChI=1S/C31H26N4O2/c1-21-12-14-22(15-13-21)26-10-6-7-11-27(26)31(37)32-25-18-16-23(17-19-25)28-20-29(35(2)34-28)33-30(36)24-8-4-3-5-9-24/h3-20H,1-2H3,(H,32,37)(H,33,36)
InChIKeyIYYKENYPTYERSQ-UHFFFAOYSA-N
MW486.58 g/mol
LogP6.57
Rot. Bonds6

About N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide

N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide (PubChem CID 176857902) has the molecular formula C31H26N4O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide.

Molecular Properties

Compound NameN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
PubChem CID176857902
Molecular FormulaC31H26N4O2
Molecular Weight486.58 g/mol
Exact Mass486.21
IUPAC NameN-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide
SMILESCc1ccc(-c2ccccc2C(=O)Nc2ccc(-c3cc(NC(=O)c4ccccc4)n(C)n3)cc2)cc1
InChIInChI=1S/C31H26N4O2/c1-21-12-14-22(15-13-21)26-10-6-7-11-27(26)31(37)32-25-18-16-23(17-19-25)28-20-29(35(2)34-28)33-30(36)24-8-4-3-5-9-24/h3-20H,1-2H3,(H,32,37)(H,33,36)
InChIKeyIYYKENYPTYERSQ-UHFFFAOYSA-N
XLogP6.57
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.58
LogP ≤ 56.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]benzamide
CID 176857987
N-[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]-2-methoxybenzamide
CID 170346252
methyl 3-[[3-(4-benzamidophenyl)-1-methylpyrazol-5-yl]carbamoyl]benzoate
CID 170346238
3-[2-[[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]carbamoyl]phenyl]prop-2-ynyl-tert-butylcarbamic acid
CID 170346165
N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-4-(4-prop-2-ynoxybenzoyl)benzamide
CID 170346312
N-[4-(ethylamino)phenyl]-2-(4-methylphenyl)benzamide
CID 141052756
N-[4-[5-[(3-benzoylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-(propoxymethyl)benzamide
CID 176857965
3-[[2-(4-methylphenyl)benzoyl]amino]benzoic acid;hydrochloride
CID 70145450
[2-[[4-[5-[(3-ethynylbenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]carbamoyl]phenyl]imino-iminoazanium
CID 176857977
N-[3-[4-[[(E,2E)-4-cyano-2-ethylidenepent-3-enoyl]amino]phenyl]-1-methylpyrazol-5-yl]benzamide
CID 170596524
2-[2-[4-[[2-[[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]carbamoyl]phenyl]methoxymethyl]triazol-1-yl]ethoxy]ethylcarbamic acid
CID 170346170

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide?
The IUPAC name of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide (CID 176857902) is N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide.
What is the SMILES notation for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide?
The canonical SMILES for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide is Cc1ccc(-c2ccccc2C(=O)Nc2ccc(-c3cc(NC(=O)c4ccccc4)n(C)n3)cc2)cc1.
What is the InChIKey of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide?
The InChIKey is IYYKENYPTYERSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N4O2/c1-21-12-14-22(15-13-21)26-10-6-7-11-27(26)31(37)32-25-18-16-23(17-19-25)28-20-29(35(2)34-28)33-30(36)24-8-4-3-5-9-24/h3-20H,1-2H3,(H,32,37)(H,33,36).
What are the key properties of N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide?
N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide has a molecular weight of 486.58 g/mol, XLogP of 6.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-benzamido-1-methylpyrazol-3-yl)phenyl]-2-(4-methylphenyl)benzamide is sourced from PubChem (CID 176857902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).