3-(2-chloropropyl)-1-cyclopentylpyrazole

C11H17ClN2 — CID 130480485

IUPAC3-(2-chloropropyl)-1-cyclopentylpyrazole
SMILESCC(Cl)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H17ClN2/c1-9(12)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3
InChIKeyBWULUAHDGTXCIU-UHFFFAOYSA-N
MW212.72 g/mol
LogP3.17
Rot. Bonds3

About 3-(2-chloropropyl)-1-cyclopentylpyrazole

3-(2-chloropropyl)-1-cyclopentylpyrazole (PubChem CID 130480485) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 3-(2-chloropropyl)-1-cyclopentylpyrazole.

Molecular Properties

Compound Name3-(2-chloropropyl)-1-cyclopentylpyrazole
PubChem CID130480485
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name3-(2-chloropropyl)-1-cyclopentylpyrazole
SMILESCC(Cl)Cc1ccn(C2CCCC2)n1
InChIInChI=1S/C11H17ClN2/c1-9(12)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3
InChIKeyBWULUAHDGTXCIU-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 53.17
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-(4-bromo-2-methylpentyl)-1-cyclohexylpyrazole
CID 64778967
4-(1-cyclopentylpyrazol-3-yl)-3-methylbutan-1-amine
CID 81013541
1-(1-cyclopentylpyrazol-3-yl)-4-methylpentane-2,3-diol
CID 103456685
3-(2-chloro-5,5-dimethylhexyl)-1-cyclopentylpyrazole
CID 114211844
1-(1-cyclopentylpyrazol-3-yl)butan-2-amine
CID 64785877
N-[3-(1-cyclopentylpyrazol-3-yl)-2-methylpropyl]cyclopropanamine
CID 64779461
4-(1-cyclohexylpyrazol-3-yl)-3-methylbutan-2-one
CID 64784583
2-[(1-cyclohexylpyrazol-3-yl)methyl]-3-methylbutan-1-amine
CID 64778280
1-(1-cyclohexylpyrazol-3-yl)-3-methoxybutan-2-ol
CID 79616778
1-(1-cyclopentylpyrazol-3-yl)-N,4-dimethylpentan-2-amine
CID 64784145
3-(1-cyclopentylpyrazol-3-yl)-2-fluoropropan-1-amine
CID 112562613
1-cyclohexyl-3-ethylpyrazole
CID 66014335

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloropropyl)-1-cyclopentylpyrazole?
The IUPAC name of 3-(2-chloropropyl)-1-cyclopentylpyrazole (CID 130480485) is 3-(2-chloropropyl)-1-cyclopentylpyrazole.
What is the SMILES notation for 3-(2-chloropropyl)-1-cyclopentylpyrazole?
The canonical SMILES for 3-(2-chloropropyl)-1-cyclopentylpyrazole is CC(Cl)Cc1ccn(C2CCCC2)n1.
What is the InChIKey of 3-(2-chloropropyl)-1-cyclopentylpyrazole?
The InChIKey is BWULUAHDGTXCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-9(12)8-10-6-7-14(13-10)11-4-2-3-5-11/h6-7,9,11H,2-5,8H2,1H3.
What are the key properties of 3-(2-chloropropyl)-1-cyclopentylpyrazole?
3-(2-chloropropyl)-1-cyclopentylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloropropyl)-1-cyclopentylpyrazole is sourced from PubChem (CID 130480485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).