(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol

C14H13F3N2O — CID 11608884

IUPAC(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol
SMILESCn1ncc(C(F)(F)F)c1C(O)/C=C/c1ccccc1
InChIInChI=1S/C14H13F3N2O/c1-19-13(11(9-18-19)14(15,16)17)12(20)8-7-10-5-3-2-4-6-10/h2-9,12,20H,1H3/b8-7+
InChIKeyPIGQTIPCPVZYSW-BQYQJAHWSA-N
MW282.26 g/mol
LogP3.19
Rot. Bonds3

About (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol

(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol (PubChem CID 11608884) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol
PubChem CID11608884
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol
SMILESCn1ncc(C(F)(F)F)c1C(O)/C=C/c1ccccc1
InChIInChI=1S/C14H13F3N2O/c1-19-13(11(9-18-19)14(15,16)17)12(20)8-7-10-5-3-2-4-6-10/h2-9,12,20H,1H3/b8-7+
InChIKeyPIGQTIPCPVZYSW-BQYQJAHWSA-N
XLogP3.19
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
4-[5-(Hydroxymethyl)-1-methylpyrazol-4-yl]benzonitrile
CID 145962664
(1-Benzyl-5-methyl-1h-pyrazol-4-yl)methanol
CID 66437900
{2-[1-Methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]phenyl}methanol
CID 24229659
(1-Methyl-5-phenyl-1H-pyrazol-3-yl)methanol
CID 14354447
1-(3-Fluorophenyl)-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]ethanol
CID 51104368
1-Methyl-3-phenyl-1H-pyrazole-5-methanol
CID 7537632
(1-Methyl-3-phenyl-1H-pyrazol-4-YL)methanol
CID 40427074
[1-[(1,3-Dimethylpyrazol-4-yl)methyl]piperidin-4-yl]-phenylmethanol
CID 53193347
(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
(4-chlorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 11550333
[1-(2,6-difluorophenyl)-1H-pyrazol-3-yl]methanol
CID 65813873

Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol?
The IUPAC name of (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol (CID 11608884) is (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol is Cn1ncc(C(F)(F)F)c1C(O)/C=C/c1ccccc1.
What is the InChIKey of (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol?
The InChIKey is PIGQTIPCPVZYSW-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H13F3N2O/c1-19-13(11(9-18-19)14(15,16)17)12(20)8-7-10-5-3-2-4-6-10/h2-9,12,20H,1H3/b8-7+.
What are the key properties of (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol?
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol has a molecular weight of 282.26 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol is sourced from PubChem (CID 11608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).