1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

C25H20N4O — CID 18225401

IUPAC1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H20N4O/c1-18-7-11-21(12-8-18)24-23(17-29(28-24)16-20-5-3-2-4-6-20)25(30)27-22-13-9-19(15-26)10-14-22/h2-14,17H,16H2,1H3,(H,27,30)
InChIKeyDNRGGNUZNZBHRV-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.03
Rot. Bonds5

About 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide

1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 18225401) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID18225401
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2)cc1
InChIInChI=1S/C25H20N4O/c1-18-7-11-21(12-8-18)24-23(17-29(28-24)16-20-5-3-2-4-6-20)25(30)27-22-13-9-19(15-26)10-14-22/h2-14,17H,16H2,1H3,(H,27,30)
InChIKeyDNRGGNUZNZBHRV-UHFFFAOYSA-N
XLogP5.03
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
1-benzyl-N-[4-(diethylcarbamoyl)phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 30997182
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
1-benzyl-N'-(3-chlorophenyl)-3-(4-methylphenyl)pyrazole-4-carbohydrazide
CID 43021494
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
methyl 3-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]-4-methylbenzoate
CID 18288690
1-benzyl-N-[3-(methylcarbamoylamino)phenyl]-3-phenylpyrazole-4-carboxamide
CID 99181106
1-benzyl-N-(1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 134009055

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide (CID 18225401) is 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(C#N)cc2)cc1.
What is the InChIKey of 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is DNRGGNUZNZBHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-18-7-11-21(12-8-18)24-23(17-29(28-24)16-20-5-3-2-4-6-20)25(30)27-22-13-9-19(15-26)10-14-22/h2-14,17H,16H2,1H3,(H,27,30).
What are the key properties of 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide?
1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-cyanophenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 18225401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).