N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide

C11H12N4O2 — CID 63085782

IUPACN-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C11H12N4O2/c1-17-10-4-8(12)2-3-9(10)15-11(16)7-5-13-14-6-7/h2-6H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyGOESWQGJSDDKCF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.25
Rot. Bonds3

About N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide

N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 63085782) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
PubChem CID63085782
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC NameN-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
SMILESCOc1cc(N)ccc1NC(=O)c1cn[nH]c1
InChIInChI=1S/C11H12N4O2/c1-17-10-4-8(12)2-3-9(10)15-11(16)7-5-13-14-6-7/h2-6H,12H2,1H3,(H,13,14)(H,15,16)
InChIKeyGOESWQGJSDDKCF-UHFFFAOYSA-N
XLogP1.25
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335
N-(4-amino-2-methoxyphenyl)-3,4,5-trifluorobenzamide
CID 63183956
N-(4-amino-2-methoxyphenyl)-4-methylsulfanylbenzamide
CID 79215059
N-(4-chloro-2-methoxy-5-methylphenyl)-1H-pyrazole-4-carboxamide
CID 43532961
3-acetamido-N-(4-amino-2-methoxyphenyl)benzamide
CID 28867873
N-(4-amino-2-methoxyphenyl)-3-bromo-5-methylbenzamide
CID 104850542
N-(4-amino-2-methoxyphenyl)-4-(2-methoxyethoxy)benzamide
CID 54852579
4-amino-N-(2,4-dimethoxyphenyl)benzamide
CID 8566750
N-(4-amino-2-methoxyphenyl)-3-(dimethylamino)benzamide
CID 43329162
N-[2-(2-methoxyethoxy)-4-methylphenyl]-1H-pyrazole-4-carboxamide
CID 60934173
5-amino-N-(4-fluoro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81317431
N-(4-amino-2-methoxyphenyl)-3-ethoxybenzamide
CID 54852547

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide (CID 63085782) is N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide is COc1cc(N)ccc1NC(=O)c1cn[nH]c1.
What is the InChIKey of N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is GOESWQGJSDDKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-10-4-8(12)2-3-9(10)15-11(16)7-5-13-14-6-7/h2-6H,12H2,1H3,(H,13,14)(H,15,16).
What are the key properties of N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide?
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.25, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63085782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).