4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole

C12H17ClN2 — CID 66438384

IUPAC4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
SMILESClCc1cnn(C2CCCC2)c1C1CC1
InChIInChI=1S/C12H17ClN2/c13-7-10-8-14-15(11-3-1-2-4-11)12(10)9-5-6-9/h8-9,11H,1-7H2
InChIKeyGBDKAZXHGBLSEX-UHFFFAOYSA-N
MW224.73 g/mol
LogP3.61
Rot. Bonds3

About 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole

4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole (PubChem CID 66438384) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
PubChem CID66438384
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC Name4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole
SMILESClCc1cnn(C2CCCC2)c1C1CC1
InChIInChI=1S/C12H17ClN2/c13-7-10-8-14-15(11-3-1-2-4-11)12(10)9-5-6-9/h8-9,11H,1-7H2
InChIKeyGBDKAZXHGBLSEX-UHFFFAOYSA-N
XLogP3.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole?
The IUPAC name of 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole (CID 66438384) is 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole.
What is the SMILES notation for 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole?
The canonical SMILES for 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole is ClCc1cnn(C2CCCC2)c1C1CC1.
What is the InChIKey of 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole?
The InChIKey is GBDKAZXHGBLSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c13-7-10-8-14-15(11-3-1-2-4-11)12(10)9-5-6-9/h8-9,11H,1-7H2.
What are the key properties of 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole?
4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole has a molecular weight of 224.73 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-cyclopentyl-5-cyclopropylpyrazole is sourced from PubChem (CID 66438384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).