4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide

C14H19N5O — CID 65357102

IUPAC4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H19N5O/c1-3-19-13(12(15)10-17-19)14(20)18(2)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,3,6,9,15H2,1-2H3
InChIKeyJCVNXKXTZCFQSS-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.19
Rot. Bonds5

About 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide

4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide (PubChem CID 65357102) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
PubChem CID65357102
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C14H19N5O/c1-3-19-13(12(15)10-17-19)14(20)18(2)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,3,6,9,15H2,1-2H3
InChIKeyJCVNXKXTZCFQSS-UHFFFAOYSA-N
XLogP1.19
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide (CID 65357102) is 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)N(C)CCc1ccncc1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide?
The InChIKey is JCVNXKXTZCFQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-19-13(12(15)10-17-19)14(20)18(2)9-6-11-4-7-16-8-5-11/h4-5,7-8,10H,3,6,9,15H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide?
4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-(2-pyridin-4-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 65357102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).