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

C13H21ClN2O2 — CID 103459014

IUPAC1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
SMILESCCn1ncc(Cl)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C13H21ClN2O2/c1-2-16-11(10(14)8-15-16)13(18)12(17)9-6-4-3-5-7-9/h8-9,12-13,17-18H,2-7H2,1H3
InChIKeyGJCABGPXMDPEAD-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.53
Rot. Bonds4

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

1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol (PubChem CID 103459014) has the molecular formula C13H21ClN2O2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol.

Molecular Properties

Compound Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
PubChem CID103459014
Molecular FormulaC13H21ClN2O2
Molecular Weight272.78 g/mol
Exact Mass272.13
IUPAC Name1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
SMILESCCn1ncc(Cl)c1C(O)C(O)C1CCCCC1
InChIInChI=1S/C13H21ClN2O2/c1-2-16-11(10(14)8-15-16)13(18)12(17)9-6-4-3-5-7-9/h8-9,12-13,17-18H,2-7H2,1H3
InChIKeyGJCABGPXMDPEAD-UHFFFAOYSA-N
XLogP2.53
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol
CID 103459015
1-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylethane-1,2-diol
CID 103456755
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethyl]hydrazine
CID 105336353
1-(4-chloro-1-ethylpyrazol-5-yl)-2-(cyclopropylamino)ethanol
CID 114665852
1-(4-chloro-1-ethylpyrazol-5-yl)-3,3-dimethylbutane-1,2-diol
CID 103457095
[1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclopentylethyl]hydrazine
CID 105336401
N-[(4-chloro-1-ethylpyrazol-5-yl)-cyclobutylmethyl]propan-1-amine
CID 114653224
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
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl-(4-chloro-1-ethylpyrazol-5-yl)methanamine
CID 105040816
2-cyclohexyl-1-(1-ethyl-4-methoxypyrazol-5-yl)-2-methoxyethanol
CID 114645947
(4-chloro-1-ethylpyrazol-5-yl)-(4-cyclopropylphenyl)methanol
CID 114636929

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The IUPAC name of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol (CID 103459014) is 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol.
What is the SMILES notation for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The canonical SMILES for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol is CCn1ncc(Cl)c1C(O)C(O)C1CCCCC1.
What is the InChIKey of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
The InChIKey is GJCABGPXMDPEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O2/c1-2-16-11(10(14)8-15-16)13(18)12(17)9-6-4-3-5-7-9/h8-9,12-13,17-18H,2-7H2,1H3.
What are the key properties of 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol?
1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol has a molecular weight of 272.78 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-ethylpyrazol-5-yl)-2-cyclohexylethane-1,2-diol is sourced from PubChem (CID 103459014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).