3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole

C15H24Cl2N2 — CID 79447968

IUPAC3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
SMILESCC(C)C(CCl)(CCl)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24Cl2N2/c1-12(2)15(10-16,11-17)9-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3
InChIKeyFSTRJNZALIUPEF-UHFFFAOYSA-N
MW303.28 g/mol
LogP4.66
Rot. Bonds6

About 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole

3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole (PubChem CID 79447968) has the molecular formula C15H24Cl2N2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
PubChem CID79447968
Molecular FormulaC15H24Cl2N2
Molecular Weight303.28 g/mol
Exact Mass302.13
IUPAC Name3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole
SMILESCC(C)C(CCl)(CCl)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C15H24Cl2N2/c1-12(2)15(10-16,11-17)9-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3
InChIKeyFSTRJNZALIUPEF-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 54.66
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-(2-chloropropyl)-1-cyclopentylpyrazole
CID 130480485
1-(1-cyclohexylpyrazol-3-yl)-2,3-dimethylpentan-2-ol
CID 64784256
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
3-(3-bromo-2,2-dimethylpropyl)-1-cyclohexylpyrazole
CID 66050139
3-(2-chloroethyl)-1-cyclohexylpyrazole
CID 130480552
2-[(1-cyclopentylpyrazol-3-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83150826
1-cyclohexyl-3-ethylpyrazole
CID 66014335
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
3-chloro-N-[(1-cyclopentylpyrazol-3-yl)methyl]-2,2-dimethylpropan-1-amine
CID 113294661
3-(2-chloro-5,5-dimethylhexyl)-1-cyclopentylpyrazole
CID 114211844
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
2-[(1-cyclohexylpyrazol-3-yl)methyl]-2-methylbutanenitrile
CID 65377026

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole?
The IUPAC name of 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole (CID 79447968) is 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole.
What is the SMILES notation for 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole?
The canonical SMILES for 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole is CC(C)C(CCl)(CCl)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole?
The InChIKey is FSTRJNZALIUPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24Cl2N2/c1-12(2)15(10-16,11-17)9-13-7-8-19(18-13)14-5-3-4-6-14/h7-8,12,14H,3-6,9-11H2,1-2H3.
What are the key properties of 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole?
3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole has a molecular weight of 303.28 g/mol, XLogP of 4.66, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-bis(chloromethyl)-3-methylbutyl]-1-cyclopentylpyrazole is sourced from PubChem (CID 79447968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).