4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole

C10H15ClN2 — CID 112671681

IUPAC4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)cc1C1CC1CCl
InChIInChI=1S/C10H15ClN2/c1-3-10-9(6-13(2)12-10)8-4-7(8)5-11/h6-8H,3-5H2,1-2H3
InChIKeyOCUMLNPWIUVPIO-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.32
Rot. Bonds3

About 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole

4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole (PubChem CID 112671681) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
PubChem CID112671681
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole
SMILESCCc1nn(C)cc1C1CC1CCl
InChIInChI=1S/C10H15ClN2/c1-3-10-9(6-13(2)12-10)8-4-7(8)5-11/h6-8H,3-5H2,1-2H3
InChIKeyOCUMLNPWIUVPIO-UHFFFAOYSA-N
XLogP2.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.32
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

4-(3-ethyl-1-methylpyrazol-4-yl)-3-propan-2-ylpiperidine-2,6-dione
CID 112671523
2-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpyrrolidin-3-amine
CID 112671279
[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methanamine
CID 83094405
N-[[2-(1,3-dimethylpyrazol-4-yl)cyclopropyl]methyl]ethanamine
CID 83094583
5-(3-ethyl-1-methylpyrazol-4-yl)-2-sulfanylideneimidazolidin-4-one
CID 112671694
4-[2-(chloromethyl)cyclopropyl]-1-propylpyrazole
CID 103573688
6-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 114709037
4-amino-1-tert-butyl-5-(3-ethyl-1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 112671274
[1-(aminomethyl)-2-(3-ethyl-1-methylpyrazol-4-yl)cyclopropyl]methanol
CID 112671144
(4S)-6-bromo-2-(3-ethyl-1-methylpyrazol-4-yl)-3,4-dihydro-2H-chromen-4-amine
CID 104947268
1-(cyclopropylmethyl)-5-(3-ethyl-1-methylpyrazol-4-yl)-4,5-dihydroimidazol-2-amine
CID 112671651
3-ethyl-1-methyl-N-(oxetan-3-yl)pyrazol-4-amine
CID 107462340

Frequently Asked Questions

What is the IUPAC name of 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole?
The IUPAC name of 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole (CID 112671681) is 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole.
What is the SMILES notation for 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole?
The canonical SMILES for 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole is CCc1nn(C)cc1C1CC1CCl.
What is the InChIKey of 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole?
The InChIKey is OCUMLNPWIUVPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-3-10-9(6-13(2)12-10)8-4-7(8)5-11/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole?
4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(chloromethyl)cyclopropyl]-3-ethyl-1-methylpyrazole is sourced from PubChem (CID 112671681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).