5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole

C12H19ClN2 — CID 64909028

IUPAC5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
SMILESCCCn1nccc1C1CCC(Cl)C1C
InChIInChI=1S/C12H19ClN2/c1-3-8-15-12(6-7-14-15)10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyRWEGGMAMBRFUOI-UHFFFAOYSA-N
MW226.75 g/mol
LogP3.41
Rot. Bonds3

About 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole

5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole (PubChem CID 64909028) has the molecular formula C12H19ClN2 and a molecular weight of 226.75 g/mol. Its IUPAC name is 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
PubChem CID64909028
Molecular FormulaC12H19ClN2
Molecular Weight226.75 g/mol
Exact Mass226.12
IUPAC Name5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
SMILESCCCn1nccc1C1CCC(Cl)C1C
InChIInChI=1S/C12H19ClN2/c1-3-8-15-12(6-7-14-15)10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8H2,1-2H3
InChIKeyRWEGGMAMBRFUOI-UHFFFAOYSA-N
XLogP3.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.75
LogP ≤ 53.41
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-(3-chloro-2-methylcyclopentyl)-1-propyltriazole
CID 114690653
3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-ol
CID 64908798
5-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 114558308
5-methyl-4-(2-propylpyrazol-3-yl)pyrrolidin-2-one
CID 114558095
5-(2-chlorocyclohexyl)-1-ethylpyrazole
CID 63974718
[2-(2-propylpyrazol-3-yl)cyclopropyl]methanol
CID 114558305
N-ethyl-3-(2-ethylpyrazol-3-yl)-2-methylcyclopentan-1-amine
CID 64909426
4-ethyl-2-(2-propylpyrazol-3-yl)cyclohexan-1-amine
CID 81014822
4-propyl-2-(2-propylpyrazol-3-yl)cyclohexane-1-carboxylic acid
CID 81021224
N-[[2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]propan-1-amine
CID 81028153
4-methyl-2-(2-propylpyrazol-3-yl)-1,3-thiazolidine
CID 114557246
N-[[4,4-dimethyl-2-(2-propylpyrazol-3-yl)cyclohexyl]methyl]cyclopropanamine
CID 81022983

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole?
The IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole (CID 64909028) is 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole.
What is the SMILES notation for 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole?
The canonical SMILES for 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole is CCCn1nccc1C1CCC(Cl)C1C.
What is the InChIKey of 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole?
The InChIKey is RWEGGMAMBRFUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2/c1-3-8-15-12(6-7-14-15)10-4-5-11(13)9(10)2/h6-7,9-11H,3-5,8H2,1-2H3.
What are the key properties of 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole?
5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole has a molecular weight of 226.75 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole is sourced from PubChem (CID 64909028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).