2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol

C15H27ClN2O — CID 66058287

IUPAC2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H27ClN2O/c1-5-8-9-15(7-3,11-19)10-13-14(16)12(6-2)17-18(13)4/h19H,5-11H2,1-4H3
InChIKeyANPLZNJTUNJTRH-UHFFFAOYSA-N
MW286.85 g/mol
LogP3.76
Rot. Bonds8

About 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol

2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol (PubChem CID 66058287) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol.

Molecular Properties

Compound Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol
PubChem CID66058287
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol
SMILESCCCCC(CC)(CO)Cc1c(Cl)c(CC)nn1C
InChIInChI=1S/C15H27ClN2O/c1-5-8-9-15(7-3,11-19)10-13-14(16)12(6-2)17-18(13)4/h19H,5-11H2,1-4H3
InChIKeyANPLZNJTUNJTRH-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 66026714
(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methanol
CID 57359274
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-propan-2-ylpropane-1,3-diol
CID 79450201
4-chloro-5-[2-(chloromethyl)-2-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66033404
1-amino-3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66037920
3-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-2-hydroxy-2-methylpropanal
CID 66037669
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-fluorobutan-1-amine
CID 112565954
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-2,3-dimethylbutan-2-ol
CID 114228361
2-butyl-2-ethylpropane-1,3-diol
CID 87084275
4-chloro-5-[2-(chloromethyl)-2-ethylbutyl]-1,3-dimethylpyrazole
CID 66034043
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-N-propan-2-ylhexan-2-amine
CID 79413022
3-amino-1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-3-methylhexan-2-one
CID 116557190

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol?
The IUPAC name of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol (CID 66058287) is 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol.
What is the SMILES notation for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol?
The canonical SMILES for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol is CCCCC(CC)(CO)Cc1c(Cl)c(CC)nn1C.
What is the InChIKey of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol?
The InChIKey is ANPLZNJTUNJTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27ClN2O/c1-5-8-9-15(7-3,11-19)10-13-14(16)12(6-2)17-18(13)4/h19H,5-11H2,1-4H3.
What are the key properties of 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol?
2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol has a molecular weight of 286.85 g/mol, XLogP of 3.76, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-2-ethylhexan-1-ol is sourced from PubChem (CID 66058287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).