(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol

C9H14N2O — CID 114558316

IUPAC(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
SMILESCCn1nccc1/C=C/C(C)O
InChIInChI=1S/C9H14N2O/c1-3-11-9(6-7-10-11)5-4-8(2)12/h4-8,12H,3H2,1-2H3/b5-4+
InChIKeyDSNTYARXZCWMQZ-SNAWJCMRSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds3

About (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol

(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol (PubChem CID 114558316) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
PubChem CID114558316
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol
SMILESCCn1nccc1/C=C/C(C)O
InChIInChI=1S/C9H14N2O/c1-3-11-9(6-7-10-11)5-4-8(2)12/h4-8,12H,3H2,1-2H3/b5-4+
InChIKeyDSNTYARXZCWMQZ-SNAWJCMRSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol?
The IUPAC name of (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol (CID 114558316) is (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol is CCn1nccc1/C=C/C(C)O.
What is the InChIKey of (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol?
The InChIKey is DSNTYARXZCWMQZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H14N2O/c1-3-11-9(6-7-10-11)5-4-8(2)12/h4-8,12H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol?
(E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol has a molecular weight of 166.22 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2-ethylpyrazol-3-yl)but-3-en-2-ol is sourced from PubChem (CID 114558316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).