(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol

C16H20N2O — CID 70328749

IUPAC(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol
SMILESCCCc1c(/C(C)=C/CO)cnn1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-3-7-16-15(13(2)10-11-19)12-17-18(16)14-8-5-4-6-9-14/h4-6,8-10,12,19H,3,7,11H2,1-2H3/b13-10+
InChIKeyHUVJVJFIDOYVDJ-JLHYYAGUSA-N
MW256.35 g/mol
LogP3.22
Rot. Bonds5

About (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol

(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol (PubChem CID 70328749) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol
PubChem CID70328749
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol
SMILESCCCc1c(/C(C)=C/CO)cnn1-c1ccccc1
InChIInChI=1S/C16H20N2O/c1-3-7-16-15(13(2)10-11-19)12-17-18(16)14-8-5-4-6-9-14/h4-6,8-10,12,19H,3,7,11H2,1-2H3/b13-10+
InChIKeyHUVJVJFIDOYVDJ-JLHYYAGUSA-N
XLogP3.22
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol with MolForge

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Related Compounds

N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
1,2-dicyclopropyl-4-(1-phenyl-5-propylpyrazol-4-yl)but-2-ene-1,4-dione
CID 67377379
ethyl 5-(3-oxopropyl)-1-phenylpyrazole-4-carboxylate
CID 71567359
phenyl-(1-phenyl-5-propylpyrazol-4-yl)methanol
CID 10613604
methyl 5-butyl-1-phenylpyrazole-4-carboxylate
CID 129024487
N-(1-methyl-3-phenylpyrazol-5-yl)-1-phenyl-5-propylpyrazole-4-carboxamide
CID 2815260
ethyl 1-(4-methylphenyl)-5-propylpyrazole-4-carboxylate
CID 63235066
(2E)-1-(1-phenyl-5-propylpyrazol-4-yl)-2-[(1R,4S)-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]ethanone
CID 151377204
4-(1-phenyl-5-propylpyrazole-4-carbonyl)morpholine-2-carboxylic acid
CID 120526124
1-(2-hydroxyphenyl)-5-propylpyrazole-4-carboxylic acid
CID 82361204
(2S)-1-(1-phenyl-5-propylpyrazole-4-carbonyl)-N-[4-[(E)-2-[4-[[(2S)-1-(1-phenyl-5-propylpyrazole-4-carbonyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 58768842
[4-(2-methoxyphenyl)piperazin-1-yl]-(1-phenyl-5-propylpyrazol-4-yl)methanone
CID 2811414

Frequently Asked Questions

What is the IUPAC name of (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol?
The IUPAC name of (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol (CID 70328749) is (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol.
What is the SMILES notation for (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol?
The canonical SMILES for (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol is CCCc1c(/C(C)=C/CO)cnn1-c1ccccc1.
What is the InChIKey of (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol?
The InChIKey is HUVJVJFIDOYVDJ-JLHYYAGUSA-N. The full InChI is InChI=1S/C16H20N2O/c1-3-7-16-15(13(2)10-11-19)12-17-18(16)14-8-5-4-6-9-14/h4-6,8-10,12,19H,3,7,11H2,1-2H3/b13-10+.
What are the key properties of (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol?
(E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol has a molecular weight of 256.35 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(1-phenyl-5-propylpyrazol-4-yl)but-2-en-1-ol is sourced from PubChem (CID 70328749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).