1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

C14H17N3O2 — CID 64781358

IUPAC1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(O)c1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-10(18)11-6-4-5-7-13(11)17-9-8-12(15-17)14(19)16(2)3/h4-10,18H,1-3H3
InChIKeyHKWOMBFQPXVKCK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.63
Rot. Bonds3

About 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide

1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 64781358) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID64781358
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCC(O)c1ccccc1-n1ccc(C(=O)N(C)C)n1
InChIInChI=1S/C14H17N3O2/c1-10(18)11-6-4-5-7-13(11)17-9-8-12(15-17)14(19)16(2)3/h4-10,18H,1-3H3
InChIKeyHKWOMBFQPXVKCK-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide (CID 64781358) is 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is CC(O)c1ccccc1-n1ccc(C(=O)N(C)C)n1.
What is the InChIKey of 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is HKWOMBFQPXVKCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(18)11-6-4-5-7-13(11)17-9-8-12(15-17)14(19)16(2)3/h4-10,18H,1-3H3.
What are the key properties of 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide?
1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 64781358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).