3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole

C15H23ClN2 — CID 79590236

IUPAC3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
SMILESCC(=CCCCl)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23ClN2/c1-13(6-5-10-16)12-14-9-11-18(17-14)15-7-3-2-4-8-15/h6,9,11,15H,2-5,7-8,10,12H2,1H3
InChIKeyRJQULVSAHHMZCO-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.51
Rot. Bonds5

About 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole

3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole (PubChem CID 79590236) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
PubChem CID79590236
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole
SMILESCC(=CCCCl)Cc1ccn(C2CCCCC2)n1
InChIInChI=1S/C15H23ClN2/c1-13(6-5-10-16)12-14-9-11-18(17-14)15-7-3-2-4-8-15/h6,9,11,15H,2-5,7-8,10,12H2,1H3
InChIKeyRJQULVSAHHMZCO-UHFFFAOYSA-N
XLogP4.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-cyclohexylpyrazol-3-yl)-N,4-dimethylpent-3-en-1-amine
CID 79598946
5-(1-cyclopentylpyrazol-3-yl)-4-methyl-N-propylpent-3-en-1-amine
CID 79599253
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
1-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64784110
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-amino-1-(1-cyclohexylpyrazol-3-yl)-3-ethylpentan-2-one
CID 116592808
4-(1-cyclohexylpyrazol-3-yl)butan-2-one
CID 64783426
(Z)-3-(1-cyclohexylpyrazol-3-yl)-2-methylprop-2-en-1-amine
CID 103392338
1-(1-cyclopentylpyrazol-3-yl)-3-methylsulfanylpropan-2-one
CID 64784318
1-(1-cyclohexylpyrazol-3-yl)hexan-2-one
CID 79405981
3-[[3-(chloromethyl)pyrrolidin-1-yl]methyl]-1-cyclohexylpyrazole
CID 64779907
1-(1-cyclopentylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-one
CID 79197509

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole?
The IUPAC name of 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole (CID 79590236) is 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole?
The canonical SMILES for 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole is CC(=CCCCl)Cc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole?
The InChIKey is RJQULVSAHHMZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-13(6-5-10-16)12-14-9-11-18(17-14)15-7-3-2-4-8-15/h6,9,11,15H,2-5,7-8,10,12H2,1H3.
What are the key properties of 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole?
3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole has a molecular weight of 266.82 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylpent-2-enyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 79590236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).