4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole

C10H15ClN2 — CID 121212728

IUPAC4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CCCC2)c1CCl
InChIInChI=1S/C10H15ClN2/c1-7-9(6-11)10(13-12-7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13)
InChIKeyWAINBQBTFVFDPT-UHFFFAOYSA-N
MW198.70 g/mol
LogP3.11
Rot. Bonds2

About 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole

4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole (PubChem CID 121212728) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole.

Molecular Properties

Compound Name4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
PubChem CID121212728
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
SMILESCc1[nH]nc(C2CCCC2)c1CCl
InChIInChI=1S/C10H15ClN2/c1-7-9(6-11)10(13-12-7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13)
InChIKeyWAINBQBTFVFDPT-UHFFFAOYSA-N
XLogP3.11
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-cyclopentyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 121212716
4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
CID 121211442
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212765
4-(chloromethyl)-5-ethyl-3-(oxan-4-yl)-1H-pyrazole
CID 121212828
(4aR,8aR)-1-[[4-(chloromethyl)-5-methyl-1H-pyrazol-3-yl]sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 102728988
4-(chloromethyl)-5-cyclopentyl-3-(trifluoromethyl)-1H-pyrazole
CID 121213191
3-cyclopentyl-4-methyl-1H-pyridazin-6-one
CID 131701607
4-cyclopentyl-5-methyl-1H-pyrazol-3-amine
CID 83815875
4-cyclopentyl-3-methyl-2H-pyrazolo[4,3-c]pyridine
CID 59618852
4-(chloromethyl)-3-cyclohexyl-5-cyclopropyl-1,2-oxazole
CID 139345619
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
CID 121213156
5-chloro-4-(chloromethyl)-1,3-dicyclopentylpyrazole
CID 113390064

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole?
The IUPAC name of 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole (CID 121212728) is 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole.
What is the SMILES notation for 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole?
The canonical SMILES for 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole is Cc1[nH]nc(C2CCCC2)c1CCl.
What is the InChIKey of 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole?
The InChIKey is WAINBQBTFVFDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-7-9(6-11)10(13-12-7)8-4-2-3-5-8/h8H,2-6H2,1H3,(H,12,13).
What are the key properties of 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole?
4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole has a molecular weight of 198.70 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole is sourced from PubChem (CID 121212728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).