5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole

C9H15ClN2O — CID 114665520

IUPAC5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole
SMILESCOc1cnn(C)c1CC(C)CCl
InChIInChI=1S/C9H15ClN2O/c1-7(5-10)4-8-9(13-3)6-11-12(8)2/h6-7H,4-5H2,1-3H3
InChIKeyPMOLHZNWDNZVIN-UHFFFAOYSA-N
MW202.68 g/mol
LogP1.85
Rot. Bonds4

About 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole

5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole (PubChem CID 114665520) has the molecular formula C9H15ClN2O and a molecular weight of 202.68 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole
PubChem CID114665520
Molecular FormulaC9H15ClN2O
Molecular Weight202.68 g/mol
Exact Mass202.09
IUPAC Name5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole
SMILESCOc1cnn(C)c1CC(C)CCl
InChIInChI=1S/C9H15ClN2O/c1-7(5-10)4-8-9(13-3)6-11-12(8)2/h6-7H,4-5H2,1-3H3
InChIKeyPMOLHZNWDNZVIN-UHFFFAOYSA-N
XLogP1.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 51.85
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-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
5-(3-bromo-4-methylpentyl)-4-methoxy-1-methylpyrazole
CID 114665460
5-(3-bromopropyl)-4-methoxy-1-methylpyrazole
CID 114665346
1-(4-methoxy-1-methylpyrazol-5-yl)pentan-3-amine
CID 114663864
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456
4-methoxy-1-methyl-5-(oxiran-2-ylmethyl)pyrazole
CID 114667613
3-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664539
1-(4-methoxy-1-methylpyrazol-5-yl)-2-methylbutan-1-amine
CID 114651682
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-amine
CID 114661194
1-(4-methoxy-1-methylpyrazol-5-yl)ethylhydrazine
CID 105201324
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylbutan-1-one
CID 105132777

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole?
The IUPAC name of 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole (CID 114665520) is 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole is COc1cnn(C)c1CC(C)CCl.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole?
The InChIKey is PMOLHZNWDNZVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2O/c1-7(5-10)4-8-9(13-3)6-11-12(8)2/h6-7H,4-5H2,1-3H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole?
5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole has a molecular weight of 202.68 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)-4-methoxy-1-methylpyrazole is sourced from PubChem (CID 114665520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).