N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide

C11H12N4O — CID 62918919

IUPACN-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H12N4O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,14,16)
InChIKeyYUZXLOPNLKTRHJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.25
Rot. Bonds2

About N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide

N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 62918919) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
PubChem CID62918919
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC NameN-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
SMILESCn1nccc1C(=O)Nc1ccc(N)cc1
InChIInChI=1S/C11H12N4O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,14,16)
InChIKeyYUZXLOPNLKTRHJ-UHFFFAOYSA-N
XLogP1.25
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(4-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 110467120
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-(4-ethylphenyl)-2-methylpyrazole-3-carboxamide
CID 6464324
1-methyl-N-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]pyrazole-3-carboxamide
CID 19475727
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 61239849
N-(4-cyclohexylphenyl)-2-methylpyrazole-3-carboxamide
CID 143736816
4-amino-2-[(2-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 55178289
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985
methyl N-[1-[4-[(2-methylpyrazole-3-carbonyl)amino]phenyl]ethylideneamino]carbamate
CID 3468534

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide (CID 62918919) is N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide is Cn1nccc1C(=O)Nc1ccc(N)cc1.
What is the InChIKey of N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is YUZXLOPNLKTRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-15-10(6-7-13-15)11(16)14-9-4-2-8(12)3-5-9/h2-7H,12H2,1H3,(H,14,16).
What are the key properties of N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide?
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide has a molecular weight of 216.24 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 62918919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).