(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol

C9H14N2O — CID 114558225

IUPAC(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
SMILESCCCn1nccc1/C=C/CO
InChIInChI=1S/C9H14N2O/c1-2-7-11-9(4-3-8-12)5-6-10-11/h3-6,12H,2,7-8H2,1H3/b4-3+
InChIKeyUTBNWTOIAKGLON-ONEGZZNKSA-N
MW166.22 g/mol
LogP1.30
Rot. Bonds4

About (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol

(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol (PubChem CID 114558225) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
PubChem CID114558225
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol
SMILESCCCn1nccc1/C=C/CO
InChIInChI=1S/C9H14N2O/c1-2-7-11-9(4-3-8-12)5-6-10-11/h3-6,12H,2,7-8H2,1H3/b4-3+
InChIKeyUTBNWTOIAKGLON-ONEGZZNKSA-N
XLogP1.30
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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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Related Compounds

5-(4-chlorobut-1-enyl)-1-propylpyrazole
CID 79602926
(E)-4-(2-propylpyrazol-3-yl)but-3-en-2-amine
CID 103091534
N-[(E)-3-(2-propylpyrazol-3-yl)prop-2-enyl]cyclopropanamine
CID 114558274
5-[(Z)-3-bromo-2-methylprop-1-enyl]-1-propylpyrazole
CID 114558242
(E)-3-(2-ethylpyrazol-3-yl)prop-2-en-1-amine
CID 114557615
5-[(E)-2-(chloromethyl)-3-methylbut-1-enyl]-1-propylpyrazole
CID 114558231
2-[(E)-(2-propylpyrazol-3-yl)methylideneamino]guanidine
CID 114558063
2-propylpyrazole-3-carboxylic acid
CID 7017775
2-amino-1-(2-propylpyrazol-3-yl)propane-1,3-diol
CID 114558108
(E)-1-(2-propylpyrazol-3-yl)but-2-en-1-one
CID 103453337
2-(2-hydroxyethyl)pyrazole-3-carbaldehyde
CID 119030698
(E)-1,3-bis(2-ethylpyrazol-3-yl)prop-2-en-1-one
CID 19553223

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol (CID 114558225) is (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol is CCCn1nccc1/C=C/CO.
What is the InChIKey of (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol?
The InChIKey is UTBNWTOIAKGLON-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-7-11-9(4-3-8-12)5-6-10-11/h3-6,12H,2,7-8H2,1H3/b4-3+.
What are the key properties of (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol?
(E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol has a molecular weight of 166.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-propylpyrazol-3-yl)prop-2-en-1-ol is sourced from PubChem (CID 114558225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).