(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol

C13H13ClF2N2O — CID 114634816

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H13ClF2N2O/c1-7(2)18-12(9(14)6-17-18)13(19)8-3-4-10(15)11(16)5-8/h3-7,13,19H,1-2H3
InChIKeyDBHSKSHTQZBPIO-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.48
Rot. Bonds3

About (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol (PubChem CID 114634816) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
PubChem CID114634816
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H13ClF2N2O/c1-7(2)18-12(9(14)6-17-18)13(19)8-3-4-10(15)11(16)5-8/h3-7,13,19H,1-2H3
InChIKeyDBHSKSHTQZBPIO-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4,5-trifluorophenyl)methanol
CID 114635272
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
CID 114643216
(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methyl]hydrazine
CID 105197225
(4-chloro-1-propan-2-ylpyrazol-5-yl)-quinoxalin-6-ylmethanol
CID 114643685
(3-chloro-4-methoxyphenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 114636145
(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(4-bromo-3-fluorophenyl)-(4-bromo-1-propan-2-ylpyrazol-5-yl)methanol
CID 114637315
4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
CID 114637563
(2-bromo-3,4-difluorophenyl)-(4-chloro-1-propan-2-ylpyrazol-5-yl)methanol
CID 107538287
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(3,4-difluorophenyl)methanol
CID 114634819
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
CID 105128171

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol (CID 114634816) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol is CC(C)n1ncc(Cl)c1C(O)c1ccc(F)c(F)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
The InChIKey is DBHSKSHTQZBPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c1-7(2)18-12(9(14)6-17-18)13(19)8-3-4-10(15)11(16)5-8/h3-7,13,19H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol has a molecular weight of 286.71 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 114634816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).