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

C17H20FN3O — CID 175943757

IUPAC[3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol
SMILESCc1nc(-c2cn(C3CC(CO)C3)nc2C2CC2)ccc1F
InChIInChI=1S/C17H20FN3O/c1-10-15(18)4-5-16(19-10)14-8-21(13-6-11(7-13)9-22)20-17(14)12-2-3-12/h4-5,8,11-13,22H,2-3,6-7,9H2,1H3
InChIKeyDLCKGFOQAMGRCA-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.21
Rot. Bonds4

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

[3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol (PubChem CID 175943757) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol
PubChem CID175943757
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name[3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol
SMILESCc1nc(-c2cn(C3CC(CO)C3)nc2C2CC2)ccc1F
InChIInChI=1S/C17H20FN3O/c1-10-15(18)4-5-16(19-10)14-8-21(13-6-11(7-13)9-22)20-17(14)12-2-3-12/h4-5,8,11-13,22H,2-3,6-7,9H2,1H3
InChIKeyDLCKGFOQAMGRCA-UHFFFAOYSA-N
XLogP3.21
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
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]cyclobutyl]methanol?
The IUPAC name of [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol (CID 175943757) is [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol.
What is the SMILES notation for [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol?
The canonical SMILES for [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol is Cc1nc(-c2cn(C3CC(CO)C3)nc2C2CC2)ccc1F.
What is the InChIKey of [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol?
The InChIKey is DLCKGFOQAMGRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10-15(18)4-5-16(19-10)14-8-21(13-6-11(7-13)9-22)20-17(14)12-2-3-12/h4-5,8,11-13,22H,2-3,6-7,9H2,1H3.
What are the key properties of [3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol?
[3-[3-cyclopropyl-4-(5-fluoro-6-methyl-2-pyridinyl)pyrazol-1-yl]cyclobutyl]methanol has a molecular weight of 301.37 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 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]cyclobutyl]methanol is sourced from PubChem (CID 175943757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).