4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide

C19H21N5O — CID 175246276

IUPAC4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ccccn2)c1-c1ccc(C)cn1
InChIInChI=1S/C19H21N5O/c1-3-4-7-14-17(19(20)25)23-24(16-8-5-6-11-21-16)18(14)15-10-9-13(2)12-22-15/h5-6,8-12H,3-4,7H2,1-2H3,(H2,20,25)
InChIKeyNCQGEQWQBFZSHY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.08
Rot. Bonds6

About 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide

4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide (PubChem CID 175246276) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
PubChem CID175246276
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide
SMILESCCCCc1c(C(N)=O)nn(-c2ccccn2)c1-c1ccc(C)cn1
InChIInChI=1S/C19H21N5O/c1-3-4-7-14-17(19(20)25)23-24(16-8-5-6-11-21-16)18(14)15-10-9-13(2)12-22-15/h5-6,8-12H,3-4,7H2,1-2H3,(H2,20,25)
InChIKeyNCQGEQWQBFZSHY-UHFFFAOYSA-N
XLogP3.08
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-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

4-butyl-5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxamide
CID 175246277
4-butyl-1-(6-methylpyridazin-3-yl)-5-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 174514945
5-[5-(2-amino-2-oxoethoxy)-2-pyridinyl]-4-butyl-1-pyridin-3-ylpyrazole-3-carboxamide
CID 174500838
5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylic acid
CID 23143661
4-amino-3-N-methyl-1-pyridin-2-ylpyrazole-3,5-dicarboxamide
CID 54551215
5-amino-3-(4-methylphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 54553606
3-octylpyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 175893742
ethyl 5-(5-methyl-2-pyridinyl)-1-pyrimidin-2-ylpyrazole-3-carboxylate
CID 23143582
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
5-propyl-1-pyridin-2-ylpyrazole-4-carboxylic acid
CID 28606394
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462

Frequently Asked Questions

What is the IUPAC name of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide (CID 175246276) is 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide is CCCCc1c(C(N)=O)nn(-c2ccccn2)c1-c1ccc(C)cn1.
What is the InChIKey of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
The InChIKey is NCQGEQWQBFZSHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-4-7-14-17(19(20)25)23-24(16-8-5-6-11-21-16)18(14)15-10-9-13(2)12-22-15/h5-6,8-12H,3-4,7H2,1-2H3,(H2,20,25).
What are the key properties of 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide?
4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-5-(5-methyl-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 175246276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).