5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole

C14H20Cl2N2 — CID 63353946

IUPAC5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole
SMILESClCc1c(C2CC2)nn(C2CCCCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-7-8-10)17-18(14(12)16)11-5-3-1-2-4-6-11/h10-11H,1-9H2
InChIKeyBFLHLTQQRLFZPT-UHFFFAOYSA-N
MW287.23 g/mol
LogP5.05
Rot. Bonds3

About 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole

5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole (PubChem CID 63353946) has the molecular formula C14H20Cl2N2 and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole
PubChem CID63353946
Molecular FormulaC14H20Cl2N2
Molecular Weight287.23 g/mol
Exact Mass286.10
IUPAC Name5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole
SMILESClCc1c(C2CC2)nn(C2CCCCCC2)c1Cl
InChIInChI=1S/C14H20Cl2N2/c15-9-12-13(10-7-8-10)17-18(14(12)16)11-5-3-1-2-4-6-11/h10-11H,1-9H2
InChIKeyBFLHLTQQRLFZPT-UHFFFAOYSA-N
XLogP5.05
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.23
LogP ≤ 55.05
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-chloro-4-(chloromethyl)-1-cyclohexyl-3-cyclopropylpyrazole
CID 55190867
5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
CID 113390064
5-chloro-1-cycloheptyl-4-ethyl-3-methylpyrazole
CID 66023049
1-butyl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353947
1-butan-2-yl-5-chloro-4-(chloromethyl)-3-cyclopropylpyrazole
CID 63353989
(5-chloro-1-cyclohexyl-3-propan-2-ylpyrazol-4-yl)methanol
CID 61272606
2-[5-chloro-4-(chloromethyl)-3-cyclopropylpyrazol-1-yl]-4,6-dimethylpyrimidine
CID 63353548
5-chloro-1-cycloheptyl-3-methylpyrazole-4-carboxylic acid
CID 61273239
5-chloro-1-cyclohexyl-3-methylpyrazole-4-carboxylic acid
CID 55032261
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 139345619
5-chloro-4-(chloromethyl)-3-cyclopropyl-1-(4-nitrophenyl)pyrazole
CID 63353464
4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
CID 66438384

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole?
The IUPAC name of 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole (CID 63353946) is 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole.
What is the SMILES notation for 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole?
The canonical SMILES for 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole is ClCc1c(C2CC2)nn(C2CCCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole?
The InChIKey is BFLHLTQQRLFZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2/c15-9-12-13(10-7-8-10)17-18(14(12)16)11-5-3-1-2-4-6-11/h10-11H,1-9H2.
What are the key properties of 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole?
5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole has a molecular weight of 287.23 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(chloromethyl)-1-cycloheptyl-3-cyclopropylpyrazole is sourced from PubChem (CID 63353946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).