(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol

C13H13ClF2N2O — CID 114634802

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1c(F)cccc1F
InChIInChI=1S/C13H13ClF2N2O/c1-2-6-18-12(8(14)7-17-18)13(19)11-9(15)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyGOPPQOYRCVHZGT-UHFFFAOYSA-N
MW286.71 g/mol
LogP3.31
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol (PubChem CID 114634802) has the molecular formula C13H13ClF2N2O and a molecular weight of 286.71 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
PubChem CID114634802
Molecular FormulaC13H13ClF2N2O
Molecular Weight286.71 g/mol
Exact Mass286.07
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1c(F)cccc1F
InChIInChI=1S/C13H13ClF2N2O/c1-2-6-18-12(8(14)7-17-18)13(19)11-9(15)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3
InChIKeyGOPPQOYRCVHZGT-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.71
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-6-fluorophenyl)-(4-bromo-1-propylpyrazol-5-yl)methanol
CID 114885652
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835583
(3-bromo-2-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 115835600
(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
CID 114645112
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(2-bromo-4-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114637368
(2-bromo-5-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114636718
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(2-chloro-6-fluorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 63895060

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol (CID 114634802) is (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol is CCCn1ncc(Cl)c1C(O)c1c(F)cccc1F.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol?
The InChIKey is GOPPQOYRCVHZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF2N2O/c1-2-6-18-12(8(14)7-17-18)13(19)11-9(15)4-3-5-10(11)16/h3-5,7,13,19H,2,6H2,1H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol has a molecular weight of 286.71 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol is sourced from PubChem (CID 114634802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).