N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C13H15N3O2 — CID 28742933

IUPACN-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H15N3O2/c1-8-12(9(2)16(3)15-8)13(18)14-10-4-6-11(17)7-5-10/h4-7,17H,1-3H3,(H,14,18)
InChIKeyATRVINMGDDYFLL-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.99
Rot. Bonds2

About N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 28742933) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID28742933
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1
InChIInChI=1S/C13H15N3O2/c1-8-12(9(2)16(3)15-8)13(18)14-10-4-6-11(17)7-5-10/h4-7,17H,1-3H3,(H,14,18)
InChIKeyATRVINMGDDYFLL-UHFFFAOYSA-N
XLogP1.99
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.99
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)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 28742933) is N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1ccc(O)cc1.
What is the InChIKey of N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is ATRVINMGDDYFLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-12(9(2)16(3)15-8)13(18)14-10-4-6-11(17)7-5-10/h4-7,17H,1-3H3,(H,14,18).
What are the key properties of N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 28742933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).