5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide

C11H12N4O2 — CID 19855984

IUPAC5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyJDFORGBQQYXPDM-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.56
Rot. Bonds3

About 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide

5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 19855984) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
PubChem CID19855984
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(N)=O)c2N)cc1
InChIInChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16)
InChIKeyJDFORGBQQYXPDM-UHFFFAOYSA-N
XLogP0.56
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N~2~-(1-Cyclopentyl-4-Oxo-4,7-Dihydro-1h-Pyrazolo[3,4-D]pyrimidin-6-Yl)-N-(4-Methoxyphenyl)-D-Alaninamide
CID 135566935
4-benzoyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine
CID 11601759
5-amino-3-[(4-methoxyphenyl)amino]-1H-pyrazole-4-carboxamide
CID 1511666
1-(4-methoxyphenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869429
1-(4-Methoxy-phenyl)-5-(2-oxo-propyl)-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 1433727
5-(4-Methoxyphenyl)-6-sulfanylidene-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one
CID 135435509
1-(4-chlorophenyl)-5-(4-methoxyphenyl)-6-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244187
1-(4-chlorophenyl)-6-ethyl-5-(4-methoxyphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 3244806
6-(3-fluorophenyl)-5-(4-methoxyphenyl)-1-(4-methylphenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 15990659
[5-Amino-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]-piperidin-4-ylmethanone
CID 92570374
2-[(1-cyclopentyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]-N-(4-methoxyphenyl)acetamide
CID 136087044
N-(4-methoxyphenyl)-2-[(4-oxo-1-propan-2-yl-5H-pyrazolo[5,4-d]pyrimidin-6-yl)amino]acetamide
CID 136087047

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 19855984) is 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-n2ncc(C(N)=O)c2N)cc1.
What is the InChIKey of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
The InChIKey is JDFORGBQQYXPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-17-8-4-2-7(3-5-8)15-10(12)9(6-14-15)11(13)16/h2-6H,12H2,1H3,(H2,13,16).
What are the key properties of 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide?
5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 19855984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).