[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol

C19H18FN3O — CID 57161430

IUPAC[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol
SMILESCc1nn(-c2cccc(C3CC3)n2)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-12-19(14-7-9-15(20)10-8-14)17(11-24)23(22-12)18-4-2-3-16(21-18)13-5-6-13/h2-4,7-10,13,24H,5-6,11H2,1H3
InChIKeySZPIIOFMOWVJBF-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.75
Rot. Bonds4

About [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol

[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol (PubChem CID 57161430) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol
PubChem CID57161430
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol
SMILESCc1nn(-c2cccc(C3CC3)n2)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C19H18FN3O/c1-12-19(14-7-9-15(20)10-8-14)17(11-24)23(22-12)18-4-2-3-16(21-18)13-5-6-13/h2-4,7-10,13,24H,5-6,11H2,1H3
InChIKeySZPIIOFMOWVJBF-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol?
The IUPAC name of [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol (CID 57161430) is [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol?
The canonical SMILES for [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol is Cc1nn(-c2cccc(C3CC3)n2)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol?
The InChIKey is SZPIIOFMOWVJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12-19(14-7-9-15(20)10-8-14)17(11-24)23(22-12)18-4-2-3-16(21-18)13-5-6-13/h2-4,7-10,13,24H,5-6,11H2,1H3.
What are the key properties of [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol?
[1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol has a molecular weight of 323.37 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropyl-2-pyridinyl)-4-(4-fluorophenyl)-3-methylpyrazol-5-yl]methanol is sourced from PubChem (CID 57161430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).