(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol

C14H16ClFN2O — CID 114645112

IUPAC(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H16ClFN2O/c1-3-4-18-13(12(15)8-17-18)14(19)10-5-9(2)6-11(16)7-10/h5-8,14,19H,3-4H2,1-2H3
InChIKeyHYYADZBFTUEUEO-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.48
Rot. Bonds4

About (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol

(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol (PubChem CID 114645112) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol.

Molecular Properties

Compound Name(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
PubChem CID114645112
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol
SMILESCCCn1ncc(Cl)c1C(O)c1cc(C)cc(F)c1
InChIInChI=1S/C14H16ClFN2O/c1-3-4-18-13(12(15)8-17-18)14(19)10-5-9(2)6-11(16)7-10/h5-8,14,19H,3-4H2,1-2H3
InChIKeyHYYADZBFTUEUEO-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chloro-5-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114638648
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-3-pyridinyl)methanol
CID 105128541
(4-chloro-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanol
CID 105128459
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
(4-bromo-3,5-dimethylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 114645995
(4-chloro-1-propylpyrazol-5-yl)-(3,4-dimethylphenyl)methanol
CID 114635071
(2-chloro-4-methylphenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
CID 106859533
(4-chloro-1-propylpyrazol-5-yl)-(1-ethylpyrazol-4-yl)methanol
CID 114636989
(4-chloro-1-propylpyrazol-5-yl)-(5-fluoro-2-pyridinyl)methanol
CID 114644772
(4-chloro-1-propylpyrazol-5-yl)-(2,6-difluorophenyl)methanol
CID 114634802
(4-chloro-1-ethylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659171
(4-chloro-1-propylpyrazol-5-yl)-[4-(difluoromethoxy)phenyl]methanol
CID 114634224

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol?
The IUPAC name of (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol (CID 114645112) is (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol.
What is the SMILES notation for (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol?
The canonical SMILES for (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol is CCCn1ncc(Cl)c1C(O)c1cc(C)cc(F)c1.
What is the InChIKey of (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol?
The InChIKey is HYYADZBFTUEUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-3-4-18-13(12(15)8-17-18)14(19)10-5-9(2)6-11(16)7-10/h5-8,14,19H,3-4H2,1-2H3.
What are the key properties of (4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol?
(4-chloro-1-propylpyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanol has a molecular weight of 282.75 g/mol, XLogP of 3.48, 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)-(3-fluoro-5-methylphenyl)methanol is sourced from PubChem (CID 114645112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).