3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one

C16H16FN3O — CID 175943740

IUPAC3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one
SMILESCc1nc(-c2cn(C3CC(=O)C3)nc2C2CC2)ccc1F
InChIInChI=1S/C16H16FN3O/c1-9-14(17)4-5-15(18-9)13-8-20(11-6-12(21)7-11)19-16(13)10-2-3-10/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyBABIESCTOPRBPF-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.17
Rot. Bonds3

About 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one

3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one (PubChem CID 175943740) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one.

Molecular Properties

Compound Name3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one
PubChem CID175943740
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one
SMILESCc1nc(-c2cn(C3CC(=O)C3)nc2C2CC2)ccc1F
InChIInChI=1S/C16H16FN3O/c1-9-14(17)4-5-15(18-9)13-8-20(11-6-12(21)7-11)19-16(13)10-2-3-10/h4-5,8,10-11H,2-3,6-7H2,1H3
InChIKeyBABIESCTOPRBPF-UHFFFAOYSA-N
XLogP3.17
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one?
The IUPAC name of 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one (CID 175943740) is 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one.
What is the SMILES notation for 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one?
The canonical SMILES for 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one is Cc1nc(-c2cn(C3CC(=O)C3)nc2C2CC2)ccc1F.
What is the InChIKey of 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one?
The InChIKey is BABIESCTOPRBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9-14(17)4-5-15(18-9)13-8-20(11-6-12(21)7-11)19-16(13)10-2-3-10/h4-5,8,10-11H,2-3,6-7H2,1H3.
What are the key properties of 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one?
3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one has a molecular weight of 285.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutan-1-one is sourced from PubChem (CID 175943740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).