5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide

C17H16N4O2 — CID 50971334

IUPAC5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1ccccc1O
InChIInChI=1S/C17H16N4O2/c1-10-16(14-5-3-4-6-15(14)22)11(2)21(20-10)13-7-12(17(18)23)8-19-9-13/h3-9,22H,1-2H3,(H2,18,23)
InChIKeyKKXPFOKNLORNBM-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.36
Rot. Bonds3

About 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide

5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide (PubChem CID 50971334) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
PubChem CID50971334
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide
SMILESCc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1ccccc1O
InChIInChI=1S/C17H16N4O2/c1-10-16(14-5-3-4-6-15(14)22)11(2)21(20-10)13-7-12(17(18)23)8-19-9-13/h3-9,22H,1-2H3,(H2,18,23)
InChIKeyKKXPFOKNLORNBM-UHFFFAOYSA-N
XLogP2.36
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide (CID 50971334) is 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide is Cc1nn(-c2cncc(C(N)=O)c2)c(C)c1-c1ccccc1O.
What is the InChIKey of 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
The InChIKey is KKXPFOKNLORNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-10-16(14-5-3-4-6-15(14)22)11(2)21(20-10)13-7-12(17(18)23)8-19-9-13/h3-9,22H,1-2H3,(H2,18,23).
What are the key properties of 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide?
5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-hydroxyphenyl)-3,5-dimethylpyrazol-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 50971334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).