1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol

C14H18FN3O2 — CID 162760086

IUPAC1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1nc(-c2ccc(F)cn2)cc1CO
InChIInChI=1S/C14H18FN3O2/c1-3-14(2,20)9-18-11(8-19)6-13(17-18)12-5-4-10(15)7-16-12/h4-7,19-20H,3,8-9H2,1-2H3
InChIKeyXJBPBCDMPPKDST-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.74
Rot. Bonds5

About 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol

1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol (PubChem CID 162760086) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol
PubChem CID162760086
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol
SMILESCCC(C)(O)Cn1nc(-c2ccc(F)cn2)cc1CO
InChIInChI=1S/C14H18FN3O2/c1-3-14(2,20)9-18-11(8-19)6-13(17-18)12-5-4-10(15)7-16-12/h4-7,19-20H,3,8-9H2,1-2H3
InChIKeyXJBPBCDMPPKDST-UHFFFAOYSA-N
XLogP1.74
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol?
The IUPAC name of 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol (CID 162760086) is 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol?
The canonical SMILES for 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol is CCC(C)(O)Cn1nc(-c2ccc(F)cn2)cc1CO.
What is the InChIKey of 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol?
The InChIKey is XJBPBCDMPPKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-14(2,20)9-18-11(8-19)6-13(17-18)12-5-4-10(15)7-16-12/h4-7,19-20H,3,8-9H2,1-2H3.
What are the key properties of 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol?
1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol has a molecular weight of 279.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-fluoro-2-pyridinyl)-5-(hydroxymethyl)pyrazol-1-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 162760086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).