N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C29H29N5O — CID 5239441

IUPACN-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCC#N)Cc2cccnc2)c(C)c1
InChIInChI=1S/C29H29N5O/c1-20-8-11-27(23(4)15-20)34-28(17-26(32-34)25-10-9-21(2)22(3)16-25)29(35)33(14-6-12-30)19-24-7-5-13-31-18-24/h5,7-11,13,15-18H,6,14,19H2,1-4H3
InChIKeyUEVZQEIGPQAIDX-UHFFFAOYSA-N
MW463.59 g/mol
LogP5.72
Rot. Bonds7

About N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 5239441) has the molecular formula C29H29N5O and a molecular weight of 463.59 g/mol. Its IUPAC name is N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID5239441
Molecular FormulaC29H29N5O
Molecular Weight463.59 g/mol
Exact Mass463.24
IUPAC NameN-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESCc1ccc(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCC#N)Cc2cccnc2)c(C)c1
InChIInChI=1S/C29H29N5O/c1-20-8-11-27(23(4)15-20)34-28(17-26(32-34)25-10-9-21(2)22(3)16-25)29(35)33(14-6-12-30)19-24-7-5-13-31-18-24/h5,7-11,13,15-18H,6,14,19H2,1-4H3
InChIKeyUEVZQEIGPQAIDX-UHFFFAOYSA-N
XLogP5.72
TPSA74.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.59
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-cyanoethyl)-1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42755412
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3663326
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758769
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
1-(2-chlorophenyl)-N-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3275127
N-benzyl-1-(2,5-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 42758246
N-(2-cyanoethyl)-4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-N-(pyridin-3-ylmethyl)benzamide
CID 60609850
N-(2-cyanoethyl)-5-(2-methoxyphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46170549
2-tert-butyl-N-(2-cyanoethyl)-5-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 42877443
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3327558
4-bromo-N-(2-cyanoethyl)-3,5-dimethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 99157401
N-(2-cyanoethyl)-3-(4-methylphenyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78805523

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 5239441) is N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is Cc1ccc(-n2nc(-c3ccc(C)c(C)c3)cc2C(=O)N(CCC#N)Cc2cccnc2)c(C)c1.
What is the InChIKey of N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is UEVZQEIGPQAIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O/c1-20-8-11-27(23(4)15-20)34-28(17-26(32-34)25-10-9-21(2)22(3)16-25)29(35)33(14-6-12-30)19-24-7-5-13-31-18-24/h5,7-11,13,15-18H,6,14,19H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 463.59 g/mol, XLogP of 5.72, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 5239441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).