5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole

C12H19ClN2O — CID 114665648

IUPAC5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
SMILESCCn1ncc(OC)c1C1CCC(Cl)C1C
InChIInChI=1S/C12H19ClN2O/c1-4-15-12(11(16-3)7-14-15)9-5-6-10(13)8(9)2/h7-10H,4-6H2,1-3H3
InChIKeyXUSSEVAGHPKLIX-UHFFFAOYSA-N
MW242.75 g/mol
LogP3.03
Rot. Bonds3

About 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole

5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole (PubChem CID 114665648) has the molecular formula C12H19ClN2O and a molecular weight of 242.75 g/mol. Its IUPAC name is 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
PubChem CID114665648
Molecular FormulaC12H19ClN2O
Molecular Weight242.75 g/mol
Exact Mass242.12
IUPAC Name5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole
SMILESCCn1ncc(OC)c1C1CCC(Cl)C1C
InChIInChI=1S/C12H19ClN2O/c1-4-15-12(11(16-3)7-14-15)9-5-6-10(13)8(9)2/h7-10H,4-6H2,1-3H3
InChIKeyXUSSEVAGHPKLIX-UHFFFAOYSA-N
XLogP3.03
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-ethyl-4-methoxypyrazol-5-yl)-4-methylcyclohexan-1-amine
CID 114666430
5-(3-chlorocyclohexyl)-1-ethyl-4-methoxypyrazole
CID 114665227
3-(4-methoxy-1-propylpyrazol-5-yl)-N,2-dimethylcyclopentan-1-amine
CID 114664731
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methylcyclopentan-1-amine
CID 114664710
N-ethyl-2-(1-ethyl-4-methoxypyrazol-5-yl)cycloheptan-1-amine
CID 114662948
2-(1-ethyl-4-methoxypyrazol-5-yl)-4-propylcyclohexan-1-amine
CID 114666458
1-cyclopropyl-3-(1-ethyl-4-methoxypyrazol-5-yl)propan-1-one
CID 114663585
2-(1-ethyl-4-methoxypyrazol-5-yl)ethanol
CID 114662423
5-[(1-ethyl-4-methoxypyrazol-5-yl)methyl]-2-methylpiperidine
CID 114662369
7-bicyclo[4.1.0]heptanyl-(1-ethyl-4-methoxypyrazol-5-yl)methanol
CID 115837191
5-(3-chloro-2-methylcyclopentyl)-1-propylpyrazole
CID 64909028
N-[(1-ethyl-4-methoxypyrazol-5-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107191194

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole?
The IUPAC name of 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole (CID 114665648) is 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole.
What is the SMILES notation for 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole?
The canonical SMILES for 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole is CCn1ncc(OC)c1C1CCC(Cl)C1C.
What is the InChIKey of 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole?
The InChIKey is XUSSEVAGHPKLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN2O/c1-4-15-12(11(16-3)7-14-15)9-5-6-10(13)8(9)2/h7-10H,4-6H2,1-3H3.
What are the key properties of 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole?
5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole has a molecular weight of 242.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylcyclopentyl)-1-ethyl-4-methoxypyrazole is sourced from PubChem (CID 114665648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).