N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide

C12H14N4O2 — CID 61239849

IUPACN-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1N
InChIInChI=1S/C12H14N4O2/c1-16-10(5-6-14-16)12(17)15-8-3-4-9(13)11(7-8)18-2/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyMTAMMAAKXRFAQV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.26
Rot. Bonds3

About N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide

N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide (PubChem CID 61239849) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
PubChem CID61239849
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2ccnn2C)ccc1N
InChIInChI=1S/C12H14N4O2/c1-16-10(5-6-14-16)12(17)15-8-3-4-9(13)11(7-8)18-2/h3-7H,13H2,1-2H3,(H,15,17)
InChIKeyMTAMMAAKXRFAQV-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-3-methoxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 61241001
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-(4-aminophenyl)-2-methylpyrazole-3-carboxamide
CID 62918919
N-(4-carbamoylphenyl)-2-methylpyrazole-3-carboxamide
CID 6466922
N-(3-chloro-4-fluorophenyl)-2-methylpyrazole-3-carboxamide
CID 6465834
N-(5-bromo-2,4-dimethoxyphenyl)-2-methylpyrazole-3-carboxamide
CID 86801789
4-amino-N-(4-chloro-3-methoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 107620644
N-[4-(aminomethyl)phenyl]-2-methylpyrazole-3-carboxamide
CID 62920449
N-[4-[[3-(dimethylamino)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 169307975
N-[3-methoxy-4-[[4-methyl-3-(trifluoromethoxy)phenyl]sulfamoyl]phenyl]-2-methylpyrazole-3-carboxamide
CID 169307765
N-[4-[[3-(2-fluoropropan-2-yl)phenyl]sulfamoyl]-3-methoxyphenyl]-2-methylpyrazole-3-carboxamide
CID 170341252
N-(1,3-benzodioxol-5-yl)-2-methylpyrazole-3-carboxamide
CID 6470985

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide (CID 61239849) is N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide is COc1cc(NC(=O)c2ccnn2C)ccc1N.
What is the InChIKey of N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
The InChIKey is MTAMMAAKXRFAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-16-10(5-6-14-16)12(17)15-8-3-4-9(13)11(7-8)18-2/h3-7H,13H2,1-2H3,(H,15,17).
What are the key properties of N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide?
N-(4-amino-3-methoxyphenyl)-2-methylpyrazole-3-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-3-methoxyphenyl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 61239849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).