4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole

C12H18Cl2N2 — CID 66033786

IUPAC4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC2(CCl)CCCC2)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9-11(14)10(16(2)15-9)7-12(8-13)5-3-4-6-12/h3-8H2,1-2H3
InChIKeyLINTVHSOLUTFDX-UHFFFAOYSA-N
MW261.20 g/mol
LogP3.72
Rot. Bonds3

About 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole

4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole (PubChem CID 66033786) has the molecular formula C12H18Cl2N2 and a molecular weight of 261.20 g/mol. Its IUPAC name is 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
PubChem CID66033786
Molecular FormulaC12H18Cl2N2
Molecular Weight261.20 g/mol
Exact Mass260.08
IUPAC Name4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole
SMILESCc1nn(C)c(CC2(CCl)CCCC2)c1Cl
InChIInChI=1S/C12H18Cl2N2/c1-9-11(14)10(16(2)15-9)7-12(8-13)5-3-4-6-12/h3-8H2,1-2H3
InChIKeyLINTVHSOLUTFDX-UHFFFAOYSA-N
XLogP3.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 53.72
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

5-[[1-(bromomethyl)cyclobutyl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66049102
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclobutan-1-ol
CID 79081887
1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropan-1-amine
CID 66025319
N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]methyl]cyclopropanamine
CID 66026465
5-[[3-(bromomethyl)oxolan-3-yl]methyl]-4-chloro-1,3-dimethylpyrazole
CID 66042437
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propan-2-ylazepane
CID 79117227
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propylazepane
CID 79118751
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-cyclopropylazepane
CID 79118582
1-(1-aminocyclopentyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanone
CID 116558902
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-fluorocyclohexan-1-amine
CID 112562505
[1-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]cyclohexyl]methanol
CID 66024347
3-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-3-methylcyclopentan-1-amine
CID 116538698

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The IUPAC name of 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole (CID 66033786) is 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole.
What is the SMILES notation for 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The canonical SMILES for 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole is Cc1nn(C)c(CC2(CCl)CCCC2)c1Cl.
What is the InChIKey of 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
The InChIKey is LINTVHSOLUTFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18Cl2N2/c1-9-11(14)10(16(2)15-9)7-12(8-13)5-3-4-6-12/h3-8H2,1-2H3.
What are the key properties of 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole?
4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole has a molecular weight of 261.20 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[[1-(chloromethyl)cyclopentyl]methyl]-1,3-dimethylpyrazole is sourced from PubChem (CID 66033786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).