4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole

C10H15ClN2 — CID 66033317

IUPAC4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
SMILESCn1cc(CC2(CCl)CCC2)cn1
InChIInChI=1S/C10H15ClN2/c1-13-7-9(6-12-13)5-10(8-11)3-2-4-10/h6-7H,2-5,8H2,1H3
InChIKeyPXFAIOUQGSSBHC-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.37
Rot. Bonds3

About 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole

4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole (PubChem CID 66033317) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole.

Molecular Properties

Compound Name4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
PubChem CID66033317
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole
SMILESCn1cc(CC2(CCl)CCC2)cn1
InChIInChI=1S/C10H15ClN2/c1-13-7-9(6-12-13)5-10(8-11)3-2-4-10/h6-7H,2-5,8H2,1H3
InChIKeyPXFAIOUQGSSBHC-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
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-[[1-(chloromethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 66035579
4-[[1-(chloromethyl)cyclohexyl]methyl]-1-methylpyrazole
CID 66034449
[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methanol
CID 66026562
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]ethanamine
CID 65195044
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclobutyl]methyl]propan-2-amine
CID 65194443
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 55106549
N-[[1-[(1-methylpyrazol-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 62723772
1-[[1-(chloromethyl)cyclobutyl]methyl]-4-ethylbenzene
CID 66035780
4-[(1-methylpyrazol-4-yl)methyl]azepan-4-ol
CID 103982876
1-methyl-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 62976161
N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103014463
1-methyl-4-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole
CID 79451734

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole?
The IUPAC name of 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole (CID 66033317) is 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole.
What is the SMILES notation for 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole?
The canonical SMILES for 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole is Cn1cc(CC2(CCl)CCC2)cn1.
What is the InChIKey of 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole?
The InChIKey is PXFAIOUQGSSBHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-13-7-9(6-12-13)5-10(8-11)3-2-4-10/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole?
4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole has a molecular weight of 198.70 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(chloromethyl)cyclobutyl]methyl]-1-methylpyrazole is sourced from PubChem (CID 66033317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).