(1-butyl-5-fluoropyrazol-4-yl)methanol

C8H13FN2O — CID 171315893

IUPAC(1-butyl-5-fluoropyrazol-4-yl)methanol
SMILESCCCCn1ncc(CO)c1F
InChIInChI=1S/C8H13FN2O/c1-2-3-4-11-8(9)7(6-12)5-10-11/h5,12H,2-4,6H2,1H3
InChIKeyLCILRFXZYHSYPU-UHFFFAOYSA-N
MW172.20 g/mol
LogP1.31
Rot. Bonds4

About (1-butyl-5-fluoropyrazol-4-yl)methanol

(1-butyl-5-fluoropyrazol-4-yl)methanol (PubChem CID 171315893) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is (1-butyl-5-fluoropyrazol-4-yl)methanol.

Molecular Properties

Compound Name(1-butyl-5-fluoropyrazol-4-yl)methanol
PubChem CID171315893
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name(1-butyl-5-fluoropyrazol-4-yl)methanol
SMILESCCCCn1ncc(CO)c1F
InChIInChI=1S/C8H13FN2O/c1-2-3-4-11-8(9)7(6-12)5-10-11/h5,12H,2-4,6H2,1H3
InChIKeyLCILRFXZYHSYPU-UHFFFAOYSA-N
XLogP1.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-5-fluoropyrazol-4-yl)methanol?
The IUPAC name of (1-butyl-5-fluoropyrazol-4-yl)methanol (CID 171315893) is (1-butyl-5-fluoropyrazol-4-yl)methanol.
What is the SMILES notation for (1-butyl-5-fluoropyrazol-4-yl)methanol?
The canonical SMILES for (1-butyl-5-fluoropyrazol-4-yl)methanol is CCCCn1ncc(CO)c1F.
What is the InChIKey of (1-butyl-5-fluoropyrazol-4-yl)methanol?
The InChIKey is LCILRFXZYHSYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-2-3-4-11-8(9)7(6-12)5-10-11/h5,12H,2-4,6H2,1H3.
What are the key properties of (1-butyl-5-fluoropyrazol-4-yl)methanol?
(1-butyl-5-fluoropyrazol-4-yl)methanol has a molecular weight of 172.20 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-5-fluoropyrazol-4-yl)methanol is sourced from PubChem (CID 171315893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).