6-(1H-pyrazol-4-yl)-1H-pyridin-2-one

C8H7N3O — CID 175983948

IUPAC6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cn[nH]c2)[nH]1
InChIInChI=1S/C8H7N3O/c12-8-3-1-2-7(11-8)6-4-9-10-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyYEIRHXYGKHPTQJ-UHFFFAOYSA-N
MW161.16 g/mol
LogP0.76
Rot. Bonds1

About 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one

6-(1H-pyrazol-4-yl)-1H-pyridin-2-one (PubChem CID 175983948) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
PubChem CID175983948
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name6-(1H-pyrazol-4-yl)-1H-pyridin-2-one
SMILESO=c1cccc(-c2cn[nH]c2)[nH]1
InChIInChI=1S/C8H7N3O/c12-8-3-1-2-7(11-8)6-4-9-10-5-6/h1-5H,(H,9,10)(H,11,12)
InChIKeyYEIRHXYGKHPTQJ-UHFFFAOYSA-N
XLogP0.76
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Pyrazol-4-yl)-propenoyl isothiocyanate
CID 129746824
3-(1H-pyrazol-4-yl)prop-2-enamide
CID 90190696
(3Z)-3-[(Z)-prop-1-enyl]-N-[(2E,4E)-5-(1H-pyrazol-4-yl)hepta-2,4,6-trien-2-yl]hexa-3,5-dienamide
CID 90385228
4-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 91493276
6-(1-methylpyrazol-4-yl)-1H-pyridin-2-one
CID 106515841
2-N-propan-2-yl-6-N-(1H-pyrazol-4-ylmethyl)-1,2-dihydropyridine-2,6-dicarboxamide
CID 118312253
1-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-(1H-pyrazol-4-yl)pyridin-2-one
CID 129212277
5-(1H-pyrazol-4-yl)-1H-pyridin-2-one
CID 129972237
2-methyl-4-(1H-pyrazol-4-yl)-1H-pyrimidin-6-one
CID 137296964
1-[(E)-3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634709
1-[3-(1H-pyrazol-4-yl)prop-2-enoyl]-2,3-dihydropyridin-6-one
CID 138634711
2-(1H-pyrazol-4-yl)-1H-pyridin-4-one
CID 170056001

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The IUPAC name of 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one (CID 175983948) is 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one is O=c1cccc(-c2cn[nH]c2)[nH]1.
What is the InChIKey of 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
The InChIKey is YEIRHXYGKHPTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c12-8-3-1-2-7(11-8)6-4-9-10-5-6/h1-5H,(H,9,10)(H,11,12).
What are the key properties of 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one?
6-(1H-pyrazol-4-yl)-1H-pyridin-2-one has a molecular weight of 161.16 g/mol, XLogP of 0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrazol-4-yl)-1H-pyridin-2-one is sourced from PubChem (CID 175983948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).