N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide

C14H17N3O2 — CID 54913256

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C14H17N3O2/c1-10(11-4-6-13(18)7-5-11)17(3)14(19)12-8-15-16(2)9-12/h4-10,18H,1-3H3
InChIKeyNJIJYAUWOPGZGQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 54913256) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID54913256
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cnn(C)c1
InChIInChI=1S/C14H17N3O2/c1-10(11-4-6-13(18)7-5-11)17(3)14(19)12-8-15-16(2)9-12/h4-10,18H,1-3H3
InChIKeyNJIJYAUWOPGZGQ-UHFFFAOYSA-N
XLogP1.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 131067296
3-ethyl-N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 102810761
4-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044668
3-hydroxy-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61044546
N-(1-cyanopropan-2-yl)-N,1-dimethylpyrazole-4-carboxamide
CID 63225000
3-fluoro-N-[1-(4-hydroxyphenyl)ethyl]-N-methylbenzamide
CID 61043700
N-(2-bromopropyl)-N,1-dimethylpyrazole-4-carboxamide
CID 80664990
N-benzhydryl-N-methyl-2-(1-methylpyrazol-4-yl)-2-oxoacetamide
CID 51101144
N,6-dimethyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 134054395
N-[1-(4-hydroxyphenyl)ethyl]-N,6-dimethylpyridine-2-carboxamide
CID 61043579
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N-methyl-N-[1-(4-methylphenyl)ethyl]benzamide
CID 60737715

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 54913256) is N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1cnn(C)c1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is NJIJYAUWOPGZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(11-4-6-13(18)7-5-11)17(3)14(19)12-8-15-16(2)9-12/h4-10,18H,1-3H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 54913256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).