(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol

C15H18ClFN2O2 — CID 82792485

IUPAC(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2c(C(C)C)nn(C)c2Cl)c1F
InChIInChI=1S/C15H18ClFN2O2/c1-8(2)13-11(15(16)19(3)18-13)14(20)9-6-5-7-10(21-4)12(9)17/h5-8,14,20H,1-4H3
InChIKeyHHWVEJOCUCNVGJ-UHFFFAOYSA-N
MW312.77 g/mol
LogP3.43
Rot. Bonds4

About (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol

(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol (PubChem CID 82792485) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol.

Molecular Properties

Compound Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
PubChem CID82792485
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol
SMILESCOc1cccc(C(O)c2c(C(C)C)nn(C)c2Cl)c1F
InChIInChI=1S/C15H18ClFN2O2/c1-8(2)13-11(15(16)19(3)18-13)14(20)9-6-5-7-10(21-4)12(9)17/h5-8,14,20H,1-4H3
InChIKeyHHWVEJOCUCNVGJ-UHFFFAOYSA-N
XLogP3.43
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-fluoro-3-methoxyphenyl)-(1,3,5-trimethylpyrazol-4-yl)methanol
CID 105121006
(R)-(5-chloro-1,3-dimethylpyrazol-4-yl)-(2-chloro-3-methoxyphenyl)methanol
CID 95559607
(2-fluoro-3-methoxyphenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 105120967
(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(2-chloro-4-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807676
(2,3-dimethoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82791266
(2,6-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanol
CID 115838581
(2-fluoro-3-methoxyphenyl)-(1-methyltriazol-4-yl)methanol
CID 112735964
(3-chloro-4-pyridinyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 105120947
(2-amino-3-methoxyphenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 107469597
(2-aminophenyl)-(2-fluoro-3-methoxyphenyl)methanol
CID 82807791
(2-fluoro-3-methoxyphenyl)-(2-methyl-1,3-oxazol-4-yl)methanol
CID 114282584

Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The IUPAC name of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol (CID 82792485) is (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol.
What is the SMILES notation for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The canonical SMILES for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol is COc1cccc(C(O)c2c(C(C)C)nn(C)c2Cl)c1F.
What is the InChIKey of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol?
The InChIKey is HHWVEJOCUCNVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c1-8(2)13-11(15(16)19(3)18-13)14(20)9-6-5-7-10(21-4)12(9)17/h5-8,14,20H,1-4H3.
What are the key properties of (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol?
(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol has a molecular weight of 312.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-fluoro-3-methoxyphenyl)methanol is sourced from PubChem (CID 82792485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).