(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol

C13H14N2O — CID 131238869

IUPAC(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H14N2O/c16-8-4-7-13-9-14-15(11-13)10-12-5-2-1-3-6-12/h1-7,9,11,16H,8,10H2/b7-4+
InChIKeyIJGCUCHNJFQVQB-QPJJXVBHSA-N
MW214.27 g/mol
LogP1.94
Rot. Bonds4

About (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol

(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol (PubChem CID 131238869) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
PubChem CID131238869
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol
SMILESOC/C=C/c1cnn(Cc2ccccc2)c1
InChIInChI=1S/C13H14N2O/c16-8-4-7-13-9-14-15(11-13)10-12-5-2-1-3-6-12/h1-7,9,11,16H,8,10H2/b7-4+
InChIKeyIJGCUCHNJFQVQB-QPJJXVBHSA-N
XLogP1.94
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate
CID 83765807
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
methyl (2R)-2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxypropanoate
CID 9085094
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 8972029
(E)-3-(1-benzylpyrazol-4-yl)-N-naphthalen-2-ylprop-2-enamide
CID 9072850
(E)-3-(1-benzylpyrazol-4-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one
CID 17411405
(E)-3-(1-benzylpyrazol-4-yl)-1-(1,5-dimethylindol-3-yl)prop-2-en-1-one
CID 167940306
[(2S)-2-[[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]amino]-2-phenylethyl]-dimethylazanium
CID 8938341
(E)-3-(1-benzylpyrazol-4-yl)-N'-ethyl-N'-(4-methylphenyl)prop-2-enehydrazide
CID 9092774
3-[(E)-3-(1-benzylpyrazol-4-yl)prop-2-enoyl]-6-methylpyran-2,4-dione
CID 75365038
(E)-3-(1-benzylpyrazol-4-yl)-1-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]prop-2-en-1-one
CID 9092822
3-[(1-benzylpyrazol-4-yl)amino]-2,2-dimethylpropan-1-ol
CID 81412350

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol?
The IUPAC name of (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol (CID 131238869) is (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol.
What is the SMILES notation for (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol?
The canonical SMILES for (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol is OC/C=C/c1cnn(Cc2ccccc2)c1.
What is the InChIKey of (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol?
The InChIKey is IJGCUCHNJFQVQB-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H14N2O/c16-8-4-7-13-9-14-15(11-13)10-12-5-2-1-3-6-12/h1-7,9,11,16H,8,10H2/b7-4+.
What are the key properties of (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol?
(E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol has a molecular weight of 214.27 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-benzylpyrazol-4-yl)prop-2-en-1-ol is sourced from PubChem (CID 131238869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).