5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole

C11H17ClN2O — CID 106201252

IUPAC5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1COCCC1CC1
InChIInChI=1S/C11H17ClN2O/c1-8-10(11(12)14(2)13-8)7-15-6-5-9-3-4-9/h9H,3-7H2,1-2H3
InChIKeyRVSDFXRSZZWAIQ-UHFFFAOYSA-N
MW228.72 g/mol
LogP2.70
Rot. Bonds5

About 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole

5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole (PubChem CID 106201252) has the molecular formula C11H17ClN2O and a molecular weight of 228.72 g/mol. Its IUPAC name is 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
PubChem CID106201252
Molecular FormulaC11H17ClN2O
Molecular Weight228.72 g/mol
Exact Mass228.10
IUPAC Name5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(Cl)c1COCCC1CC1
InChIInChI=1S/C11H17ClN2O/c1-8-10(11(12)14(2)13-8)7-15-6-5-9-3-4-9/h9H,3-7H2,1-2H3
InChIKeyRVSDFXRSZZWAIQ-UHFFFAOYSA-N
XLogP2.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.72
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-(ethoxymethyl)-1,3-dimethylpyrazole
CID 60796732
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxymethyl]piperidine
CID 113470030
5-[2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]ethyl]-4-methyl-1,3-thiazole
CID 60796740
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methoxy]cycloheptan-1-amine
CID 113470035
5-chloro-4-[(2-ethylcyclohexyl)oxymethyl]-1,3-dimethylpyrazole
CID 60796738
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-4-ethylcyclohexan-1-amine
CID 115584766
4-[(2-bromophenyl)methoxymethyl]-5-chloro-1,3-dimethylpyrazole
CID 82824380
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]bicyclo[2.2.1]heptan-2-amine
CID 113470727
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-ethoxypropan-1-amine
CID 115576209
1-(5-chloro-1,3-dimethylpyrazol-4-yl)-3-cyclopentylpropan-2-ol
CID 115832460
5-chloro-4-[(3-ethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 115688533
5-chloro-4-[[2-(chloromethyl)phenoxy]methyl]-1,3-dimethylpyrazole
CID 113470016

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole?
The IUPAC name of 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole (CID 106201252) is 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole?
The canonical SMILES for 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole is Cc1nn(C)c(Cl)c1COCCC1CC1.
What is the InChIKey of 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole?
The InChIKey is RVSDFXRSZZWAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2O/c1-8-10(11(12)14(2)13-8)7-15-6-5-9-3-4-9/h9H,3-7H2,1-2H3.
What are the key properties of 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole?
5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole has a molecular weight of 228.72 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-cyclopropylethoxymethyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 106201252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).