3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide

C15H20N4O — CID 72881917

IUPAC3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCc2ccncc2)c(C)n1
InChIInChI=1S/C15H20N4O/c1-3-10-19-11-14(12(2)18-19)15(20)17-9-6-13-4-7-16-8-5-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,20)
InChIKeyHWABKAXPTIZVDT-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.97
Rot. Bonds6

About 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide

3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 72881917) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID72881917
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
SMILESCCCn1cc(C(=O)NCCc2ccncc2)c(C)n1
InChIInChI=1S/C15H20N4O/c1-3-10-19-11-14(12(2)18-19)15(20)17-9-6-13-4-7-16-8-5-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,20)
InChIKeyHWABKAXPTIZVDT-UHFFFAOYSA-N
XLogP1.97
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide (CID 72881917) is 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide is CCCn1cc(C(=O)NCCc2ccncc2)c(C)n1.
What is the InChIKey of 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is HWABKAXPTIZVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-10-19-11-14(12(2)18-19)15(20)17-9-6-13-4-7-16-8-5-13/h4-5,7-8,11H,3,6,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide?
3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 72881917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).