(2-butylpyrazol-3-yl)methanol

C8H14N2O — CID 86767428

IUPAC(2-butylpyrazol-3-yl)methanol
SMILESCCCCn1nccc1CO
InChIInChI=1S/C8H14N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyKXLLSVQJOWVWIO-UHFFFAOYSA-N
MW154.21 g/mol
LogP1.18
Rot. Bonds4

About (2-butylpyrazol-3-yl)methanol

(2-butylpyrazol-3-yl)methanol (PubChem CID 86767428) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (2-butylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(2-butylpyrazol-3-yl)methanol
PubChem CID86767428
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(2-butylpyrazol-3-yl)methanol
SMILESCCCCn1nccc1CO
InChIInChI=1S/C8H14N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,11H,2-3,6-7H2,1H3
InChIKeyKXLLSVQJOWVWIO-UHFFFAOYSA-N
XLogP1.18
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butylpyrazol-3-yl)methanol?
The IUPAC name of (2-butylpyrazol-3-yl)methanol (CID 86767428) is (2-butylpyrazol-3-yl)methanol.
What is the SMILES notation for (2-butylpyrazol-3-yl)methanol?
The canonical SMILES for (2-butylpyrazol-3-yl)methanol is CCCCn1nccc1CO.
What is the InChIKey of (2-butylpyrazol-3-yl)methanol?
The InChIKey is KXLLSVQJOWVWIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-6-10-8(7-11)4-5-9-10/h4-5,11H,2-3,6-7H2,1H3.
What are the key properties of (2-butylpyrazol-3-yl)methanol?
(2-butylpyrazol-3-yl)methanol has a molecular weight of 154.21 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butylpyrazol-3-yl)methanol is sourced from PubChem (CID 86767428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).