1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol

C13H21ClN2O — CID 115836779

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
SMILESCn1ncc(Cl)c1C(O)CC1CCCCCC1
InChIInChI=1S/C13H21ClN2O/c1-16-13(11(14)9-15-16)12(17)8-10-6-4-2-3-5-7-10/h9-10,12,17H,2-8H2,1H3
InChIKeyQWHCOHSWVKENHT-UHFFFAOYSA-N
MW256.78 g/mol
LogP3.47
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol

1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol (PubChem CID 115836779) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
PubChem CID115836779
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
SMILESCn1ncc(Cl)c1C(O)CC1CCCCCC1
InChIInChI=1S/C13H21ClN2O/c1-16-13(11(14)9-15-16)12(17)8-10-6-4-2-3-5-7-10/h9-10,12,17H,2-8H2,1H3
InChIKeyQWHCOHSWVKENHT-UHFFFAOYSA-N
XLogP3.47
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-chloro-1-methylpyrazol-5-yl)-3-cyclopentylpropyl]hydrazine
CID 105338877
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-cyclopropylethanol
CID 114644981
(4-chloro-1-methylpyrazol-5-yl)-(thian-2-yl)methanol
CID 114645048
N-[(4-chloro-1-methylpyrazol-5-yl)-cyclohexylmethyl]ethanamine
CID 114647881
2-cyclopentyl-1-(2-methylpyrazol-3-yl)ethanol
CID 114554130
1-(4-chloro-1-methylpyrazol-5-yl)-2-(propan-2-ylamino)ethanol
CID 114665843
2-cyclohexyl-1-(1-methylpyrazol-4-yl)ethanol
CID 61088408
1-(4-chloro-1-methylpyrazol-5-yl)-2-(4-methylphenyl)ethanol
CID 114643322
1-(6-chloroimidazo[1,5-a]pyridin-5-yl)-2-cyclohexylethanol
CID 122609474
1-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-2-yl)propan-1-ol
CID 115836748
3-amino-1-(4-chloro-1-methylpyrazol-5-yl)propan-1-ol
CID 83829412
(4-chloro-1-methylpyrazol-5-yl)-(2-methylcyclopentyl)methanol
CID 107192965

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol (CID 115836779) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol is Cn1ncc(Cl)c1C(O)CC1CCCCCC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol?
The InChIKey is QWHCOHSWVKENHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-16-13(11(14)9-15-16)12(17)8-10-6-4-2-3-5-7-10/h9-10,12,17H,2-8H2,1H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol?
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol has a molecular weight of 256.78 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol is sourced from PubChem (CID 115836779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).