3-(4-chloroheptyl)-1-cyclohexylpyrazole

C16H27ClN2 — CID 64778760

IUPAC3-(4-chloroheptyl)-1-cyclohexylpyrazole
SMILESCCCC(Cl)CCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27ClN2/c1-2-7-14(17)8-6-9-15-12-13-19(18-15)16-10-4-3-5-11-16/h12-14,16H,2-11H2,1H3
InChIKeyAAVVHBYGQIWIDQ-UHFFFAOYSA-N
MW282.86 g/mol
LogP5.12
Rot. Bonds7

About 3-(4-chloroheptyl)-1-cyclohexylpyrazole

3-(4-chloroheptyl)-1-cyclohexylpyrazole (PubChem CID 64778760) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 3-(4-chloroheptyl)-1-cyclohexylpyrazole.

Molecular Properties

Compound Name3-(4-chloroheptyl)-1-cyclohexylpyrazole
PubChem CID64778760
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name3-(4-chloroheptyl)-1-cyclohexylpyrazole
SMILESCCCC(Cl)CCCc1ccn(C2CCCCC2)n1
InChIInChI=1S/C16H27ClN2/c1-2-7-14(17)8-6-9-15-12-13-19(18-15)16-10-4-3-5-11-16/h12-14,16H,2-11H2,1H3
InChIKeyAAVVHBYGQIWIDQ-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.86
LogP ≤ 55.12
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

1-(1-cyclohexylpyrazol-3-yl)hexan-3-amine
CID 64785365
6-(1-cyclopentylpyrazol-3-yl)-2-methyl-N-propylhexan-3-amine
CID 64777007
3-(1-cyclohexylpyrazol-3-yl)propan-1-ol
CID 64778700
3-(3-chloro-4,4-dimethylpentyl)-1-cyclopentylpyrazole
CID 64779835
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
3-(1-cyclohexylpyrazol-3-yl)-N-methylpropan-1-amine
CID 64779459
1-cyclohexyl-3-ethylpyrazole
CID 66014335
3-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64778794
3-(2-chloro-5,5-dimethylhexyl)-1-cyclopentylpyrazole
CID 114211844
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-1-amine
CID 64778088
N-[3-(1-cyclopentylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 64777700

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloroheptyl)-1-cyclohexylpyrazole?
The IUPAC name of 3-(4-chloroheptyl)-1-cyclohexylpyrazole (CID 64778760) is 3-(4-chloroheptyl)-1-cyclohexylpyrazole.
What is the SMILES notation for 3-(4-chloroheptyl)-1-cyclohexylpyrazole?
The canonical SMILES for 3-(4-chloroheptyl)-1-cyclohexylpyrazole is CCCC(Cl)CCCc1ccn(C2CCCCC2)n1.
What is the InChIKey of 3-(4-chloroheptyl)-1-cyclohexylpyrazole?
The InChIKey is AAVVHBYGQIWIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN2/c1-2-7-14(17)8-6-9-15-12-13-19(18-15)16-10-4-3-5-11-16/h12-14,16H,2-11H2,1H3.
What are the key properties of 3-(4-chloroheptyl)-1-cyclohexylpyrazole?
3-(4-chloroheptyl)-1-cyclohexylpyrazole has a molecular weight of 282.86 g/mol, XLogP of 5.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloroheptyl)-1-cyclohexylpyrazole is sourced from PubChem (CID 64778760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).