4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide

C13H15ClN4O2 — CID 62081674

IUPAC4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(OC)ccc2Cl)c1N
InChIInChI=1S/C13H15ClN4O2/c1-3-9-11(15)12(18-17-9)13(19)16-10-6-7(20-2)4-5-8(10)14/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYXXKGMDOOZCIFJ-UHFFFAOYSA-N
MW294.74 g/mol
LogP2.47
Rot. Bonds4

About 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide

4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide (PubChem CID 62081674) has the molecular formula C13H15ClN4O2 and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
PubChem CID62081674
Molecular FormulaC13H15ClN4O2
Molecular Weight294.74 g/mol
Exact Mass294.09
IUPAC Name4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)Nc2cc(OC)ccc2Cl)c1N
InChIInChI=1S/C13H15ClN4O2/c1-3-9-11(15)12(18-17-9)13(19)16-10-6-7(20-2)4-5-8(10)14/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyYXXKGMDOOZCIFJ-UHFFFAOYSA-N
XLogP2.47
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-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

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide (CID 62081674) is 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)Nc2cc(OC)ccc2Cl)c1N.
What is the InChIKey of 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
The InChIKey is YXXKGMDOOZCIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O2/c1-3-9-11(15)12(18-17-9)13(19)16-10-6-7(20-2)4-5-8(10)14/h4-6H,3,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide?
4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide has a molecular weight of 294.74 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-chloro-5-methoxyphenyl)-5-ethyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62081674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).