3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one

C15H16N2O — CID 105107919

IUPAC3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16N2O/c18-15(9-8-12-6-7-12)13-10-16-17(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2
InChIKeyUSPNOPAXJJEWAE-UHFFFAOYSA-N
MW240.31 g/mol
LogP3.25
Rot. Bonds5

About 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one

3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one (PubChem CID 105107919) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
PubChem CID105107919
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one
SMILESO=C(CCC1CC1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H16N2O/c18-15(9-8-12-6-7-12)13-10-16-17(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2
InChIKeyUSPNOPAXJJEWAE-UHFFFAOYSA-N
XLogP3.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43322472
1-(1-phenylpyrazol-4-yl)butan-1-one
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1-(1-phenylpyrazol-4-yl)heptan-1-one
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1-(1-phenylpyrazol-4-yl)-2-pyridin-3-ylethanone
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(4-aminopiperidin-1-yl)-(1-phenylpyrazol-4-yl)methanone
CID 28742248
1-phenylpyrazole-4-carbonyl iodide
CID 130257311
2-(4-iodophenyl)-1-(1-phenylpyrazol-4-yl)ethanone
CID 105103146
[3-(chloromethyl)pyrrolidin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 63396082
2,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 14590777
2,2,3,3-tetrafluoro-1-(1-phenylpyrazol-4-yl)propan-1-one
CID 114032783
N-[3-(cyclopropylmethoxy)propyl]-1-phenylpyrazole-4-carboxamide
CID 18120950

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one?
The IUPAC name of 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one (CID 105107919) is 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one is O=C(CCC1CC1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one?
The InChIKey is USPNOPAXJJEWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c18-15(9-8-12-6-7-12)13-10-16-17(11-13)14-4-2-1-3-5-14/h1-5,10-12H,6-9H2.
What are the key properties of 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one?
3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one has a molecular weight of 240.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-phenylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 105107919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).