N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

C12H14N4O2 — CID 107697710

IUPACN-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2N)cnn1C
InChIInChI=1S/C12H14N4O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,13H2,1-2H3,(H,15,18)
InChIKeySMOMUOWJWWVAQQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.27
Rot. Bonds2

About N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide

N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (PubChem CID 107697710) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
PubChem CID107697710
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC NameN-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(O)cc2N)cnn1C
InChIInChI=1S/C12H14N4O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,13H2,1-2H3,(H,15,18)
InChIKeySMOMUOWJWWVAQQ-UHFFFAOYSA-N
XLogP1.27
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide (CID 107697710) is N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(O)cc2N)cnn1C.
What is the InChIKey of N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
The InChIKey is SMOMUOWJWWVAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-7-9(6-14-16(7)2)12(18)15-11-4-3-8(17)5-10(11)13/h3-6,17H,13H2,1-2H3,(H,15,18).
What are the key properties of N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide?
N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 1.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxyphenyl)-1,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 107697710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).