N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide

C14H17N3O2 — CID 54912870

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-10(11-4-6-12(18)7-5-11)16(2)14(19)13-8-9-15-17(13)3/h4-10,18H,1-3H3
InChIKeySNDOSYWQDDVDCQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.96
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide (PubChem CID 54912870) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide
PubChem CID54912870
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1ccnn1C
InChIInChI=1S/C14H17N3O2/c1-10(11-4-6-12(18)7-5-11)16(2)14(19)13-8-9-15-17(13)3/h4-10,18H,1-3H3
InChIKeySNDOSYWQDDVDCQ-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide (CID 54912870) is N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1ccnn1C.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide?
The InChIKey is SNDOSYWQDDVDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10(11-4-6-12(18)7-5-11)16(2)14(19)13-8-9-15-17(13)3/h4-10,18H,1-3H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N,2-dimethylpyrazole-3-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,2-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 54912870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).