1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide

C25H23N5O2 — CID 99181106

IUPAC1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H23N5O2/c1-26-25(32)28-21-14-8-13-20(15-21)27-24(31)22-17-30(16-18-9-4-2-5-10-18)29-23(22)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,27,31)(H2,26,28,32)
InChIKeyYLZQILGCFXHYRQ-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.60
Rot. Bonds6

About 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide

1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide (PubChem CID 99181106) has the molecular formula C25H23N5O2 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
PubChem CID99181106
Molecular FormulaC25H23N5O2
Molecular Weight425.49 g/mol
Exact Mass425.19
IUPAC Name1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
SMILESCNC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1
InChIInChI=1S/C25H23N5O2/c1-26-25(32)28-21-14-8-13-20(15-21)27-24(31)22-17-30(16-18-9-4-2-5-10-18)29-23(22)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,27,31)(H2,26,28,32)
InChIKeyYLZQILGCFXHYRQ-UHFFFAOYSA-N
XLogP4.60
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-3-phenylpyrazole-4-carboxamide
CID 55617368
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
1-benzyl-N-(2,4-difluorophenyl)-3-phenylpyrazole-4-carboxamide
CID 9209390
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18225401
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
1-benzyl-3-(4-chlorophenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazole-4-carboxamide
CID 36665052
N-(3-acetamido-4-fluorophenyl)-1-benzyl-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 55532778
1-benzyl-3-(4-methoxyphenyl)-N-[3-(4-methyl-2,5-dioxoimidazolidin-4-yl)phenyl]pyrazole-4-carboxamide
CID 55961871
N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281327
1-benzyl-3-(3-methoxyphenyl)-N-[4-[2-oxo-2-(propan-2-ylamino)ethyl]phenyl]pyrazole-4-carboxamide
CID 55619315
1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 124882051

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide (CID 99181106) is 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide is CNC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide?
The InChIKey is YLZQILGCFXHYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2/c1-26-25(32)28-21-14-8-13-20(15-21)27-24(31)22-17-30(16-18-9-4-2-5-10-18)29-23(22)19-11-6-3-7-12-19/h2-15,17H,16H2,1H3,(H,27,31)(H2,26,28,32).
What are the key properties of 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide?
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 4.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 99181106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).