N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

C14H17N3O2 — CID 75386647

IUPACN-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(O)cc2)nn1C
InChIInChI=1S/C14H17N3O2/c1-9(2)13-8-12(16-17(13)3)14(19)15-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,15,19)
InChIKeyCPPVSXYHGKNVCG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.50
Rot. Bonds3

About N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide

N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (PubChem CID 75386647) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
PubChem CID75386647
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2ccc(O)cc2)nn1C
InChIInChI=1S/C14H17N3O2/c1-9(2)13-8-12(16-17(13)3)14(19)15-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,15,19)
InChIKeyCPPVSXYHGKNVCG-UHFFFAOYSA-N
XLogP2.50
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.50
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-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide (CID 75386647) is N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2ccc(O)cc2)nn1C.
What is the InChIKey of N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is CPPVSXYHGKNVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-9(2)13-8-12(16-17(13)3)14(19)15-10-4-6-11(18)7-5-10/h4-9,18H,1-3H3,(H,15,19).
What are the key properties of N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide?
N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxyphenyl)-1-methyl-5-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 75386647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).