N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide

C12H14N4O2 — CID 28742335

IUPACN-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)12(17)15-10-4-3-9(13)5-11(10)18-2/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyZKABMXDSXSLQQY-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide

N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 28742335) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID28742335
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cnn(C)c1
InChIInChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)12(17)15-10-4-3-9(13)5-11(10)18-2/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyZKABMXDSXSLQQY-UHFFFAOYSA-N
XLogP1.26
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
N-(2-amino-4-chlorophenyl)-1-methylpyrazole-4-carboxamide
CID 28742303
N-(4-amino-2-methoxyphenyl)-3-(1-methylpyrazol-4-yl)sulfanylpropanamide
CID 61384763
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
CID 104850542
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
methyl 2-[(1-methylpyrazole-4-carbonyl)amino]benzoate
CID 43408015

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide (CID 28742335) is N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide is COc1cc(N)ccc1NC(=O)c1cnn(C)c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is ZKABMXDSXSLQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-7-8(6-14-16)12(17)15-10-4-3-9(13)5-11(10)18-2/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide?
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 28742335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).