[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol

C16H20FN3O2 — CID 67171088

IUPAC[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2c(F)cccc2CN2CCOCC2)cc1CO
InChIInChI=1S/C16H20FN3O2/c1-12-14(11-21)10-20(18-12)16-13(3-2-4-15(16)17)9-19-5-7-22-8-6-19/h2-4,10,21H,5-9,11H2,1H3
InChIKeyRTDIRRREGJOPPN-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.64
Rot. Bonds4

About [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol

[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol (PubChem CID 67171088) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol
PubChem CID67171088
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol
SMILESCc1nn(-c2c(F)cccc2CN2CCOCC2)cc1CO
InChIInChI=1S/C16H20FN3O2/c1-12-14(11-21)10-20(18-12)16-13(3-2-4-15(16)17)9-19-5-7-22-8-6-19/h2-4,10,21H,5-9,11H2,1H3
InChIKeyRTDIRRREGJOPPN-UHFFFAOYSA-N
XLogP1.64
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol?
The IUPAC name of [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol (CID 67171088) is [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol.
What is the SMILES notation for [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol?
The canonical SMILES for [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol is Cc1nn(-c2c(F)cccc2CN2CCOCC2)cc1CO.
What is the InChIKey of [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol?
The InChIKey is RTDIRRREGJOPPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-12-14(11-21)10-20(18-12)16-13(3-2-4-15(16)17)9-19-5-7-22-8-6-19/h2-4,10,21H,5-9,11H2,1H3.
What are the key properties of [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol?
[1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol has a molecular weight of 305.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-fluoro-6-(morpholin-4-ylmethyl)phenyl]-3-methylpyrazol-4-yl]methanol is sourced from PubChem (CID 67171088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).