5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole

C11H17ClN2 — CID 103013956

IUPAC5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
SMILESCn1nccc1CCCC(Cl)C1CC1
InChIInChI=1S/C11H17ClN2/c1-14-10(7-8-13-14)3-2-4-11(12)9-5-6-9/h7-9,11H,2-6H2,1H3
InChIKeyCIUXPYVMGOJTAZ-UHFFFAOYSA-N
MW212.72 g/mol
LogP2.76
Rot. Bonds5

About 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole

5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole (PubChem CID 103013956) has the molecular formula C11H17ClN2 and a molecular weight of 212.72 g/mol. Its IUPAC name is 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
PubChem CID103013956
Molecular FormulaC11H17ClN2
Molecular Weight212.72 g/mol
Exact Mass212.11
IUPAC Name5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
SMILESCn1nccc1CCCC(Cl)C1CC1
InChIInChI=1S/C11H17ClN2/c1-14-10(7-8-13-14)3-2-4-11(12)9-5-6-9/h7-9,11H,2-6H2,1H3
InChIKeyCIUXPYVMGOJTAZ-UHFFFAOYSA-N
XLogP2.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.72
LogP ≤ 52.76
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-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
N-ethyl-1-(4-methylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103009722
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
4-chloro-1-[2-(2-methylpyrazol-3-yl)ethyl]piperidine
CID 103015106
1-cyclooctyl-3-(2-methylpyrazol-3-yl)propan-1-ol
CID 103008398
1-cyclopropyl-N-[(2-methylpyrazol-3-yl)methyl]butan-1-amine
CID 115769814
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
1-(4-butylcyclohexyl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030638
1-cyclopropyl-N-[2-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 104695065
N-methyl-9-[2-(2-methylpyrazol-3-yl)ethyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 103011730

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole?
The IUPAC name of 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole (CID 103013956) is 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole.
What is the SMILES notation for 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole?
The canonical SMILES for 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole is Cn1nccc1CCCC(Cl)C1CC1.
What is the InChIKey of 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole?
The InChIKey is CIUXPYVMGOJTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN2/c1-14-10(7-8-13-14)3-2-4-11(12)9-5-6-9/h7-9,11H,2-6H2,1H3.
What are the key properties of 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole?
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole has a molecular weight of 212.72 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole is sourced from PubChem (CID 103013956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).