5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole

C13H21ClN2 — CID 66034904

IUPAC5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1CC1(CCl)CCCC1
InChIInChI=1S/C13H21ClN2/c1-3-16-12(8-11(2)15-16)9-13(10-14)6-4-5-7-13/h8H,3-7,9-10H2,1-2H3
InChIKeyXARORDBCFFXRBI-UHFFFAOYSA-N
MW240.78 g/mol
LogP3.55
Rot. Bonds4

About 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole

5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole (PubChem CID 66034904) has the molecular formula C13H21ClN2 and a molecular weight of 240.78 g/mol. Its IUPAC name is 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole.

Molecular Properties

Compound Name5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
PubChem CID66034904
Molecular FormulaC13H21ClN2
Molecular Weight240.78 g/mol
Exact Mass240.14
IUPAC Name5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole
SMILESCCn1nc(C)cc1CC1(CCl)CCCC1
InChIInChI=1S/C13H21ClN2/c1-3-16-12(8-11(2)15-16)9-13(10-14)6-4-5-7-13/h8H,3-7,9-10H2,1-2H3
InChIKeyXARORDBCFFXRBI-UHFFFAOYSA-N
XLogP3.55
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.78
LogP ≤ 53.55
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

[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]piperidin-3-yl]methanol
CID 66058530
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024464
5-(chloromethyl)-1-ethyl-3-methylpyrazole
CID 50896690
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrolidin-3-yl]methanol
CID 66058384
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclopropane-1-sulfonyl chloride
CID 165496954
[3-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-1,1-dioxothiolan-3-yl]methanamine
CID 115337795
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3-methylcyclobutan-1-ol
CID 103564494
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-3,3,5,5-tetramethylcyclohexan-1-ol
CID 115999349
5-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-1-ethyl-3-methylpyrazole
CID 66049569
1-(1-ethylcyclopentyl)-2-(2-ethyl-5-methylpyrazol-3-yl)ethanone
CID 115779670
3-amino-1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 80561107
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-4-methylpiperidin-4-ol
CID 81115265

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole?
The IUPAC name of 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole (CID 66034904) is 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole.
What is the SMILES notation for 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole?
The canonical SMILES for 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole is CCn1nc(C)cc1CC1(CCl)CCCC1.
What is the InChIKey of 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole?
The InChIKey is XARORDBCFFXRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2/c1-3-16-12(8-11(2)15-16)9-13(10-14)6-4-5-7-13/h8H,3-7,9-10H2,1-2H3.
What are the key properties of 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole?
5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole has a molecular weight of 240.78 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(chloromethyl)cyclopentyl]methyl]-1-ethyl-3-methylpyrazole is sourced from PubChem (CID 66034904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).