(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

C12H9ClF4N2O — CID 114644848

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H9ClF4N2O/c1-19-10(8(13)5-18-19)11(20)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,11,20H,1H3
InChIKeyKJJWSVXBDPOWFM-UHFFFAOYSA-N
MW308.66 g/mol
LogP3.31
Rot. Bonds2

About (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol

(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (PubChem CID 114644848) has the molecular formula C12H9ClF4N2O and a molecular weight of 308.66 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
PubChem CID114644848
Molecular FormulaC12H9ClF4N2O
Molecular Weight308.66 g/mol
Exact Mass308.03
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
SMILESCn1ncc(Cl)c1C(O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H9ClF4N2O/c1-19-10(8(13)5-18-19)11(20)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,11,20H,1H3
InChIKeyKJJWSVXBDPOWFM-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.66
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105250271
(4-chloro-1-methylpyrazol-5-yl)-(4-fluoro-2-methylphenyl)methanol
CID 114635377
(2-chloro-4-methylphenyl)-(4-chloro-1-methylpyrazol-5-yl)methanol
CID 106859553
(4-chloro-1-methylpyrazol-5-yl)-(2,5-dichlorothiophen-3-yl)methanol
CID 107969920
(3-chloro-4-methylphenyl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 107560100
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanol
CID 114644889
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
(4-chloro-1-methylpyrazol-5-yl)-(3-fluoro-2-pyridinyl)methanol
CID 114645125
(4-chloro-2-fluorophenyl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 114651067
(4-chloro-1-methylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105129852
1-chloro-1-[2-fluoro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 69345196
1-(4-chloro-1-methylpyrazol-5-yl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 103312651

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol (CID 114644848) is (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is Cn1ncc(Cl)c1C(O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
The InChIKey is KJJWSVXBDPOWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF4N2O/c1-19-10(8(13)5-18-19)11(20)7-4-6(12(15,16)17)2-3-9(7)14/h2-5,11,20H,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol?
(4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol has a molecular weight of 308.66 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 114644848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).