N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

C11H11N3O2 — CID 28742932

IUPACN-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)cn1
InChIInChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
InChIKeyBOTWCSZQXQBVCZ-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.38
Rot. Bonds2

About N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide

N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 28742932) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
PubChem CID28742932
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC NameN-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(O)cc2)cn1
InChIInChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16)
InChIKeyBOTWCSZQXQBVCZ-UHFFFAOYSA-N
XLogP1.38
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide (CID 28742932) is N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)Nc2ccc(O)cc2)cn1.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is BOTWCSZQXQBVCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-14-7-8(6-12-14)11(16)13-9-2-4-10(15)5-3-9/h2-7,15H,1H3,(H,13,16).
What are the key properties of N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide?
N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 28742932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).