N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C13H16N4O2 — CID 107697570

IUPACN-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C13H16N4O2/c1-3-11-9(7-17(2)16-11)13(19)15-12-5-4-8(18)6-10(12)14/h4-7,18H,3,14H2,1-2H3,(H,15,19)
InChIKeyRXXUNTLXFTUVGW-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.52
Rot. Bonds3

About N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 107697570) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID107697570
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCc1nn(C)cc1C(=O)Nc1ccc(O)cc1N
InChIInChI=1S/C13H16N4O2/c1-3-11-9(7-17(2)16-11)13(19)15-12-5-4-8(18)6-10(12)14/h4-7,18H,3,14H2,1-2H3,(H,15,19)
InChIKeyRXXUNTLXFTUVGW-UHFFFAOYSA-N
XLogP1.52
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-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

Related Compounds

N-(5-hydroxy-2-methylphenyl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 118725456
2-cyano-3-(1,5-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide
CID 52995796
2-cyano-3-(1,3-dimethyl-1H-pyrazol-4-yl)-N-(3-hydroxyphenyl)propanamide
CID 52996605
N-cyclopentyl-1-(3-hydroxyphenyl)pyrazole-4-carboxamide
CID 172443737
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide
CID 28742932
1-(3-Hydroxyphenyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 69031842
3-(difluoromethyl)-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 122583226
N-(2-amino-4-methoxyphenyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide
CID 129017185
N-[2-(cyclopropylamino)-4-hydroxyphenyl]-6-(difluoromethyl)pyridazine-4-carboxamide
CID 137289619
3-fluoro-N-[4-hydroxy-3-(2-methylpyrazol-3-yl)phenyl]cyclohexa-1,3-diene-1-carboxamide
CID 163678707
N-ethyl-1-(4-hydroxyphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 176913247
1-(difluoromethyl)-N-(3-hydroxyphenyl)pyrazole-3-carboxamide
CID 19264149

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 107697570) is N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCc1nn(C)cc1C(=O)Nc1ccc(O)cc1N.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is RXXUNTLXFTUVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-3-11-9(7-17(2)16-11)13(19)15-12-5-4-8(18)6-10(12)14/h4-7,18H,3,14H2,1-2H3,(H,15,19).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107697570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).