[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol

C11H12FN3O — CID 117315523

IUPAC[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol
SMILESCn1nc(-c2cc(CO)ccc2F)cc1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)5-10(14-15)8-4-7(6-16)2-3-9(8)12/h2-5,16H,6,13H2,1H3
InChIKeyCBZIPPCMCIDQHC-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.30
Rot. Bonds2

About [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol

[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol (PubChem CID 117315523) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol
PubChem CID117315523
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC Name[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol
SMILESCn1nc(-c2cc(CO)ccc2F)cc1N
InChIInChI=1S/C11H12FN3O/c1-15-11(13)5-10(14-15)8-4-7(6-16)2-3-9(8)12/h2-5,16H,6,13H2,1H3
InChIKeyCBZIPPCMCIDQHC-UHFFFAOYSA-N
XLogP1.30
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol?
The IUPAC name of [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol (CID 117315523) is [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol.
What is the SMILES notation for [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol?
The canonical SMILES for [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol is Cn1nc(-c2cc(CO)ccc2F)cc1N.
What is the InChIKey of [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol?
The InChIKey is CBZIPPCMCIDQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-15-11(13)5-10(14-15)8-4-7(6-16)2-3-9(8)12/h2-5,16H,6,13H2,1H3.
What are the key properties of [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol?
[3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol has a molecular weight of 221.23 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-amino-1-methylpyrazol-3-yl)-4-fluorophenyl]methanol is sourced from PubChem (CID 117315523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).