[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol

C14H16ClFN2O — CID 167774058

IUPAC[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol
SMILESCC(C)(C)n1nccc1-c1ccc(Cl)c(F)c1CO
InChIInChI=1S/C14H16ClFN2O/c1-14(2,3)18-12(6-7-17-18)9-4-5-11(15)13(16)10(9)8-19/h4-7,19H,8H2,1-3H3
InChIKeyKOMJPEAPUJVRPM-UHFFFAOYSA-N
MW282.75 g/mol
LogP3.59
Rot. Bonds2

About [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol

[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol (PubChem CID 167774058) has the molecular formula C14H16ClFN2O and a molecular weight of 282.75 g/mol. Its IUPAC name is [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol
PubChem CID167774058
Molecular FormulaC14H16ClFN2O
Molecular Weight282.75 g/mol
Exact Mass282.09
IUPAC Name[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol
SMILESCC(C)(C)n1nccc1-c1ccc(Cl)c(F)c1CO
InChIInChI=1S/C14H16ClFN2O/c1-14(2,3)18-12(6-7-17-18)9-4-5-11(15)13(16)10(9)8-19/h4-7,19H,8H2,1-3H3
InChIKeyKOMJPEAPUJVRPM-UHFFFAOYSA-N
XLogP3.59
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(2-tert-butylpyrazol-3-yl)pyrimidine
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1-chloro-2-fluoro-3-(fluoromethyl)-4-methylbenzene
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1-(3-chloro-2-fluorophenyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010352
[3-fluoro-4-(2-methylpyrazol-3-yl)phenyl]methanamine
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1-tert-butyl-5-iodopyrazole
CID 83382816
4-chloro-2-ethyl-3-fluoroaniline
CID 134444327
(3-chloro-6-fluoro-2-methylphenyl)methanol
CID 84766744
(4-chloro-3-fluoro-2-pyridinyl)methanol
CID 19791242
(6-chloro-3-fluoro-2-methylphenyl)methanol
CID 130839356
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876

Frequently Asked Questions

What is the IUPAC name of [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol?
The IUPAC name of [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol (CID 167774058) is [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol.
What is the SMILES notation for [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol?
The canonical SMILES for [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol is CC(C)(C)n1nccc1-c1ccc(Cl)c(F)c1CO.
What is the InChIKey of [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol?
The InChIKey is KOMJPEAPUJVRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFN2O/c1-14(2,3)18-12(6-7-17-18)9-4-5-11(15)13(16)10(9)8-19/h4-7,19H,8H2,1-3H3.
What are the key properties of [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol?
[6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol has a molecular weight of 282.75 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-tert-butylpyrazol-3-yl)-3-chloro-2-fluorophenyl]methanol is sourced from PubChem (CID 167774058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).