1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone

C16H13N3O — CID 105127838

IUPAC1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13N3O/c20-16(9-13-5-4-8-17-10-13)14-11-18-19(12-14)15-6-2-1-3-7-15/h1-8,10-12H,9H2
InChIKeyJUZMAMDKANSUPZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.69
Rot. Bonds4

About 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone

1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone (PubChem CID 105127838) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
PubChem CID105127838
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H13N3O/c20-16(9-13-5-4-8-17-10-13)14-11-18-19(12-14)15-6-2-1-3-7-15/h1-8,10-12H,9H2
InChIKeyJUZMAMDKANSUPZ-UHFFFAOYSA-N
XLogP2.69
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-3-ylmethyl 1-phenylpyrazole-4-carboxylate
CID 75485194
2-(4-iodophenyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105103146
4-oxo-4-(1-phenylpyrazol-4-yl)butanoic acid
CID 43322472
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 105107919
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
1-(1-phenylpyrazol-4-yl)heptan-1-one
CID 114752131
2-(5-bromo-2-pyridinyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105128778
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
CID 66868100
CID 66868100
(3-ethylphenyl)-(1-phenylpyrazol-4-yl)methanone
CID 105120280

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone (CID 105127838) is 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone?
The InChIKey is JUZMAMDKANSUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c20-16(9-13-5-4-8-17-10-13)14-11-18-19(12-14)15-6-2-1-3-7-15/h1-8,10-12H,9H2.
What are the key properties of 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone?
1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone has a molecular weight of 263.30 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 105127838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).