1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

C23H18ClN5O2 — CID 3327558

IUPAC1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O2/c24-18-6-1-7-19(13-18)29-21(14-20(27-29)22-8-3-12-31-22)23(30)28(11-4-9-25)16-17-5-2-10-26-15-17/h1-3,5-8,10,12-15H,4,11,16H2
InChIKeyRFVQZSBNUOBHET-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.74
Rot. Bonds7

About 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide

1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (PubChem CID 3327558) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
PubChem CID3327558
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC Name1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
SMILESN#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1
InChIInChI=1S/C23H18ClN5O2/c24-18-6-1-7-19(13-18)29-21(14-20(27-29)22-8-3-12-31-22)23(30)28(11-4-9-25)16-17-5-2-10-26-15-17/h1-3,5-8,10,12-15H,4,11,16H2
InChIKeyRFVQZSBNUOBHET-UHFFFAOYSA-N
XLogP4.74
TPSA87.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-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

1-(3-chlorophenyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 1053527
N-(2-cyanoethyl)-3-(4-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3339948
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3663326
N-benzyl-3-(furan-2-yl)-N-(2-hydroxyethyl)-1-phenylpyrazole-5-carboxamide
CID 78855267
N-(2-cyanoethyl)-1-(4-methylphenyl)-3-(1-methylpyrrol-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 42758769
1-(2-chlorophenyl)-N-(2-cyanoethyl)-3-(4-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3275127
N-benzyl-N-[2-(dimethylamino)ethyl]-3-(furan-2-yl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 1053873
5-amino-N-(2-cyanoethyl)-2-(furan-2-yl)-N-(pyridin-3-ylmethyl)-[1,2,4]triazolo[1,5-c]pyrimidine-7-carboxamide
CID 91261332
N-benzyl-3-(furan-2-yl)-1-(3-nitrophenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 1053910
N-(2-cyanoethyl)-1-(2,4-dimethylphenyl)-3-(3,4-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 5239441
1-(4-chlorophenyl)-3-(furan-2-yl)-N,N-dipropylpyrazole-5-carboxamide
CID 1053398
2,3-dichloro-N-(2-cyanoethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 134013348

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide (CID 3327558) is 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccco2)nn1-c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is RFVQZSBNUOBHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-18-6-1-7-19(13-18)29-21(14-20(27-29)22-8-3-12-31-22)23(30)28(11-4-9-25)16-17-5-2-10-26-15-17/h1-3,5-8,10,12-15H,4,11,16H2.
What are the key properties of 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide?
1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-(2-cyanoethyl)-3-(furan-2-yl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3327558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).