5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide

C11H13N5O — CID 53337825

IUPAC5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1
InChIInChI=1S/C11H13N5O/c1-6-3-2-4-7(5-6)14-11-8(10(13)17)9(12)15-16-11/h2-5H,1H3,(H2,13,17)(H4,12,14,15,16)
InChIKeyZLQOPEUSZZNKSK-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.14
Rot. Bonds3

About 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide

5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide (PubChem CID 53337825) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide
PubChem CID53337825
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide
SMILESCc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1
InChIInChI=1S/C11H13N5O/c1-6-3-2-4-7(5-6)14-11-8(10(13)17)9(12)15-16-11/h2-5H,1H3,(H2,13,17)(H4,12,14,15,16)
InChIKeyZLQOPEUSZZNKSK-UHFFFAOYSA-N
XLogP1.14
TPSA109.82 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 5-amino-3-(3-methylanilino)-1H-pyrazole-4-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 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide (CID 53337825) is 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide is Cc1cccc(Nc2n[nH]c(N)c2C(N)=O)c1.
What is the InChIKey of 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide?
The InChIKey is ZLQOPEUSZZNKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-6-3-2-4-7(5-6)14-11-8(10(13)17)9(12)15-16-11/h2-5H,1H3,(H2,13,17)(H4,12,14,15,16).
What are the key properties of 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide?
5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide has a molecular weight of 231.26 g/mol, XLogP of 1.14, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-methylanilino)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53337825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).