1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one

C17H15N3O — CID 91444784

IUPAC1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one
SMILESO=C(CCc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16(15-5-2-1-3-6-15)9-7-14-8-10-17(18-13-14)20-12-4-11-19-20/h1-6,8,10-13H,7,9H2
InChIKeyNTTGXSDUEPRXOD-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.08
Rot. Bonds5

About 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one

1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one (PubChem CID 91444784) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one
PubChem CID91444784
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one
SMILESO=C(CCc1ccc(-n2cccn2)nc1)c1ccccc1
InChIInChI=1S/C17H15N3O/c21-16(15-5-2-1-3-6-15)9-7-14-8-10-17(18-13-14)20-12-4-11-19-20/h1-6,8,10-13H,7,9H2
InChIKeyNTTGXSDUEPRXOD-UHFFFAOYSA-N
XLogP3.08
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-N-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]butan-2-imine
CID 59705404
5-(methylsulfanylmethyl)-2-pyrazol-1-ylpyridine
CID 148997787
N-methyl-6-pyrazol-1-ylpyridine-3-carboxamide
CID 3758867
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
1-(2-phenylethyl)-1-prop-2-enyl-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 51127524
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclopentanecarboxamide
CID 25343497
1-[2-(1H-indol-3-yl)ethyl]-3-[(6-pyrazol-1-yl-3-pyridinyl)methyl]urea
CID 47024839
N-(6-pyrazol-1-yl-3-pyridinyl)acetamide
CID 47153389
1-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)phenyl]propan-1-one
CID 177471870

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one?
The IUPAC name of 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one (CID 91444784) is 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one.
What is the SMILES notation for 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one?
The canonical SMILES for 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one is O=C(CCc1ccc(-n2cccn2)nc1)c1ccccc1.
What is the InChIKey of 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one?
The InChIKey is NTTGXSDUEPRXOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-16(15-5-2-1-3-6-15)9-7-14-8-10-17(18-13-14)20-12-4-11-19-20/h1-6,8,10-13H,7,9H2.
What are the key properties of 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one?
1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one has a molecular weight of 277.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(6-pyrazol-1-yl-3-pyridinyl)propan-1-one is sourced from PubChem (CID 91444784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).