3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

C15H14Cl2N2 — CID 101353548

IUPAC3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1C(Cl)Cl
InChIInChI=1S/C15H14Cl2N2/c1-19-14(15(16)17)9-13(18-19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14-15H,9H2,1H3
InChIKeyUOPRRCAFQRMXSY-UHFFFAOYSA-N
MW293.20 g/mol
LogP4.05
Rot. Bonds2

About 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole

3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (PubChem CID 101353548) has the molecular formula C15H14Cl2N2 and a molecular weight of 293.20 g/mol. Its IUPAC name is 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
PubChem CID101353548
Molecular FormulaC15H14Cl2N2
Molecular Weight293.20 g/mol
Exact Mass292.05
IUPAC Name3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
SMILESCN1N=C(c2ccc3ccccc3c2)CC1C(Cl)Cl
InChIInChI=1S/C15H14Cl2N2/c1-19-14(15(16)17)9-13(18-19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14-15H,9H2,1H3
InChIKeyUOPRRCAFQRMXSY-UHFFFAOYSA-N
XLogP4.05
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.20
LogP ≤ 54.05
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

(3R)-3-(4-methoxyphenyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 6925478
3-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole
CID 101496554
5-methyl-3-naphthalen-2-yl-4,5-dihydro-1,2-oxazole
CID 23643899
5-naphthalen-2-yl-3-phenyl-3,4-dihydropyrazole-2-carbaldehyde
CID 3453890
2-naphthalen-2-yl-5-propan-2-yl-5,10b-dihydro-1H-pyrazolo[1,5-c][1,3]benzoxazine
CID 3333129
1-[3-(3,4-dichlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 91095022
3-(4-fluorophenyl)-2-(4-methylphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole
CID 134613023
3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbothioamide
CID 66488119
2-chloro-1-[3-(4-methoxyphenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]ethanone
CID 5019320
4-[3-(4-chlorophenyl)-5-naphthalen-2-yl-3,4-dihydropyrazol-2-yl]-5H-1,3-thiazol-2-one
CID 66488121
(3S)-3-[4-(dimethylamino)phenyl]-5-naphthalen-2-yl-3,4-dihydropyrazole-2-carbaldehyde
CID 765180
2-methyl-5-naphthalen-2-yl-3,4-dihydro-2H-pyrrole-3-carbonitrile
CID 171976234

Frequently Asked Questions

What is the IUPAC name of 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole (CID 101353548) is 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is CN1N=C(c2ccc3ccccc3c2)CC1C(Cl)Cl.
What is the InChIKey of 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
The InChIKey is UOPRRCAFQRMXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2/c1-19-14(15(16)17)9-13(18-19)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,14-15H,9H2,1H3.
What are the key properties of 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole?
3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole has a molecular weight of 293.20 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dichloromethyl)-2-methyl-5-naphthalen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 101353548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).