1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol

C14H23ClN2O2 — CID 103459015

IUPAC1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C14H23ClN2O2/c1-2-8-17-12(11(15)9-16-17)14(19)13(18)10-6-4-3-5-7-10/h9-10,13-14,18-19H,2-8H2,1H3
InChIKeyADCFZOLNEVECRF-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.92
Rot. Bonds5

About 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol (PubChem CID 103459015) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
PubChem CID103459015
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
SMILESCCCn1ncc(Cl)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C14H23ClN2O2/c1-2-8-17-12(11(15)9-16-17)14(19)13(18)10-6-4-3-5-7-10/h9-10,13-14,18-19H,2-8H2,1H3
InChIKeyADCFZOLNEVECRF-UHFFFAOYSA-N
XLogP2.92
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459014
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclooctyl-N-methylmethanamine
CID 114658830
1-(4-chloro-1-propylpyrazol-5-yl)-1-cyclohexyl-N-methylmethanamine
CID 114647869
1-(4-chloro-1-propylpyrazol-5-yl)propane-1,2-diol
CID 103452617
(4-chloro-1-propylpyrazol-5-yl)-(4-propylcyclohexyl)methanol
CID 114644031
1-(7-bicyclo[4.1.0]heptanyl)-1-(4-chloro-1-propylpyrazol-5-yl)-N-methylmethanamine
CID 105042506
(4-chloro-1-propylpyrazol-5-yl)-[1-(dimethylamino)cyclohexyl]methanol
CID 114644567
1-(4-chloro-1-propylpyrazol-5-yl)-3-cyclopentyl-N-methylpropan-1-amine
CID 105042610
1-(4-chloro-1-propylpyrazol-5-yl)-2,2-dimethylbutan-1-ol
CID 115835624
(4-chloro-1-propylpyrazol-5-yl)-(3,5-dichlorophenyl)methanol
CID 114635404
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The IUPAC name of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol (CID 103459015) is 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The canonical SMILES for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol is CCCn1ncc(Cl)c1C(O)C(O)C1CCCCC1.
What is the InChIKey of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The InChIKey is ADCFZOLNEVECRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-2-8-17-12(11(15)9-16-17)14(19)13(18)10-6-4-3-5-7-10/h9-10,13-14,18-19H,2-8H2,1H3.
What are the key properties of 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol has a molecular weight of 286.80 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol is sourced from PubChem (CID 103459015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).