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

C13H13ClF2N2O — CID 114643216

IUPAC(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H13ClF2N2O/c1-7(2)18-12(11(14)6-17-18)13(19)8-3-9(15)5-10(16)4-8/h3-7,13,19H,1-2H3
InChIKeyWMFDWNXVLODEOH-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.48
Rot. Bonds3

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

(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol (PubChem CID 114643216) 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)-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
PubChem CID114643216
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol
SMILESCC(C)n1ncc(Cl)c1C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C13H13ClF2N2O/c1-7(2)18-12(11(14)6-17-18)13(19)8-3-9(15)5-10(16)4-8/h3-7,13,19H,1-2H3
InChIKeyWMFDWNXVLODEOH-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
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,4-difluorophenyl)methanol
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[(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methyl]hydrazine
CID 105207979
(4-chloro-1-propan-2-ylpyrazol-5-yl)-pyridazin-4-ylmethanol
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-[3-(trifluoromethyl)phenyl]methanol
CID 114635032
(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
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4-[(4-chloro-1-propan-2-ylpyrazol-5-yl)-hydroxymethyl]benzonitrile
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(4-chloro-1-propan-2-ylpyrazol-5-yl)-(6-fluoro-1-benzothiophen-2-yl)methanol
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(4-chloro-3-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114635288
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(4-fluorophenyl)methanamine
CID 114646229
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The IUPAC name of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol (CID 114643216) is (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol.
What is the SMILES notation for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The canonical SMILES for (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol is CC(C)n1ncc(Cl)c1C(O)c1cc(F)cc(F)c1.
What is the InChIKey of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
The InChIKey is WMFDWNXVLODEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c1-7(2)18-12(11(14)6-17-18)13(19)8-3-9(15)5-10(16)4-8/h3-7,13,19H,1-2H3.
What are the key properties of (4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-difluorophenyl)methanol?
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(3,5-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)-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 114643216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).