3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole

C6H11ClN2 — CID 89160444

IUPAC3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(CCl)C1
InChIInChI=1S/C6H11ClN2/c1-5-3-6(4-7)9(2)8-5/h6H,3-4H2,1-2H3
InChIKeyRKBCSWIWLCPIJI-UHFFFAOYSA-N
MW146.62 g/mol
LogP1.31
Rot. Bonds1

About 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole

3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole (PubChem CID 89160444) has the molecular formula C6H11ClN2 and a molecular weight of 146.62 g/mol. Its IUPAC name is 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole
PubChem CID89160444
Molecular FormulaC6H11ClN2
Molecular Weight146.62 g/mol
Exact Mass146.06
IUPAC Name3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole
SMILESCC1=NN(C)C(CCl)C1
InChIInChI=1S/C6H11ClN2/c1-5-3-6(4-7)9(2)8-5/h6H,3-4H2,1-2H3
InChIKeyRKBCSWIWLCPIJI-UHFFFAOYSA-N
XLogP1.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.62
LogP ≤ 51.31
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

(2S,5R)-2,5-bis(chloromethyl)-1-methylpyrrolidine
CID 10997656
2,5-dimethyl-3-(2,4,6-trimethylphenyl)-3,4-dihydropyrazole
CID 57091138
2-benzyl-3,5-dimethyl-3,4-dihydropyrazole
CID 59940821
5-(2,3-dimethylimidazol-4-yl)-3-methyl-4,5-dihydro-1,2-oxazole
CID 135173081
2-(chloromethyl)-1-methylpiperidine;hydrochloride
CID 12644392
4-(chloromethyl)-1-nonylpyrrolidin-2-one
CID 168507077
5-fluoro-3-methyl-4,5-dihydro-1,2-oxazole
CID 90455407
5-ethynyl-2,3-dimethyl-3,4-dihydropyrazole
CID 89053259
4-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-(chloromethyl)morpholine
CID 81209692
(2S,6R)-4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,6-dimethylmorpholine
CID 104960036
[2-(chloromethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-4-yl)methanone
CID 55188355
10-chloro-2-methyl-1,11b-dihydropyrazolo[1,5-d][1,4]benzoxazepin-5-one
CID 71520772

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole?
The IUPAC name of 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole (CID 89160444) is 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole is CC1=NN(C)C(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole?
The InChIKey is RKBCSWIWLCPIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClN2/c1-5-3-6(4-7)9(2)8-5/h6H,3-4H2,1-2H3.
What are the key properties of 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole?
3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole has a molecular weight of 146.62 g/mol, XLogP of 1.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2,5-dimethyl-3,4-dihydropyrazole is sourced from PubChem (CID 89160444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).