N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C14H17N3O2 — CID 64792545

IUPACN-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1O
InChIInChI=1S/C14H17N3O2/c1-8-5-6-11(7-12(8)18)15-14(19)13-9(2)16-17(4)10(13)3/h5-7,18H,1-4H3,(H,15,19)
InChIKeyKDSHPBZGVKHTOG-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.30
Rot. Bonds2

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

N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 64792545) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID64792545
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1O
InChIInChI=1S/C14H17N3O2/c1-8-5-6-11(7-12(8)18)15-14(19)13-9(2)16-17(4)10(13)3/h5-7,18H,1-4H3,(H,15,19)
InChIKeyKDSHPBZGVKHTOG-UHFFFAOYSA-N
XLogP2.30
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 64792545) is N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(C)c2C)cc1O.
What is the InChIKey of N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is KDSHPBZGVKHTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-5-6-11(7-12(8)18)15-14(19)13-9(2)16-17(4)10(13)3/h5-7,18H,1-4H3,(H,15,19).
What are the key properties of N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 64792545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).