N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

C14H17N3O2 — CID 61258871

IUPACN-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)n[nH]c2C)c(C)c1O
InChIInChI=1S/C14H17N3O2/c1-7-5-6-11(8(2)13(7)18)15-14(19)12-9(3)16-17-10(12)4/h5-6,18H,1-4H3,(H,15,19)(H,16,17)
InChIKeyOOJLKXSWGQOPPN-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.60
Rot. Bonds2

About N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 61258871) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID61258871
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)n[nH]c2C)c(C)c1O
InChIInChI=1S/C14H17N3O2/c1-7-5-6-11(8(2)13(7)18)15-14(19)12-9(3)16-17-10(12)4/h5-6,18H,1-4H3,(H,15,19)(H,16,17)
InChIKeyOOJLKXSWGQOPPN-UHFFFAOYSA-N
XLogP2.60
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 61258871) is N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)n[nH]c2C)c(C)c1O.
What is the InChIKey of N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is OOJLKXSWGQOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-7-5-6-11(8(2)13(7)18)15-14(19)12-9(3)16-17-10(12)4/h5-6,18H,1-4H3,(H,15,19)(H,16,17).
What are the key properties of N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 2.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,4-dimethylphenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 61258871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).