3-(2-chloroethyl)-1-cyclohexylpyrazole

C11H17ClN2 — CID 130480552

IUPAC3-(2-chloroethyl)-1-cyclohexylpyrazole
SMILESClCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C11H17ClN2/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h7,9,11H,1-6,8H2
InChIKeyDNEQTYSZMPNXBG-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-chloroethyl)-1-cyclohexylpyrazole

3-(2-chloroethyl)-1-cyclohexylpyrazole (PubChem CID 130480552) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-(2-chloroethyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-(2-chloroethyl)-1-cyclohexylpyrazole
PubChem CID130480552
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-(2-chloroethyl)-1-cyclohexylpyrazole
SMILESClCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C11H17ClN2/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h7,9,11H,1-6,8H2
InChIKeyDNEQTYSZMPNXBG-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
1-cyclohexyl-3-ethylpyrazole
CID 66014335
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
3-[[1-(chloromethyl)cyclobutyl]methyl]-1-cyclohexylpyrazole
CID 66035324
3-(4-chloroheptyl)-1-cyclohexylpyrazole
CID 64778760
3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
CID 79590236
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(2-chloroethyl)-4-[(1-cyclopentylpyrazol-3-yl)methyl]-1,4-diazepane
CID 64778323
1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
(3S,4R)-1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3,4-diol
CID 79410877

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloroethyl)-1-cyclohexylpyrazole?
The IUPAC name of 3-(2-chloroethyl)-1-cyclohexylpyrazole (CID 130480552) is 3-(2-chloroethyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 3-(2-chloroethyl)-1-cyclohexylpyrazole?
The canonical SMILES for 3-(2-chloroethyl)-1-cyclohexylpyrazole is ClCCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(2-chloroethyl)-1-cyclohexylpyrazole?
The InChIKey is DNEQTYSZMPNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c12-8-6-10-7-9-14(13-10)11-4-2-1-3-5-11/h7,9,11H,1-6,8H2.
What are the key properties of 3-(2-chloroethyl)-1-cyclohexylpyrazole?
3-(2-chloroethyl)-1-cyclohexylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 130480552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).