4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole

C15H16Cl2N2 — CID 91244918

IUPAC4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-c2ccc(Cl)cc2Cl)c1CC1CC1
InChIInChI=1S/C15H16Cl2N2/c1-9-13(7-10-3-4-10)15(19(2)18-9)12-6-5-11(16)8-14(12)17/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyGHMXMJQKWCEUAC-UHFFFAOYSA-N
MW295.21 g/mol
LogP4.65
Rot. Bonds3

About 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole

4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole (PubChem CID 91244918) has the molecular formula C15H16Cl2N2 and a molecular weight of 295.21 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
PubChem CID91244918
Molecular FormulaC15H16Cl2N2
Molecular Weight295.21 g/mol
Exact Mass294.07
IUPAC Name4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole
SMILESCc1nn(C)c(-c2ccc(Cl)cc2Cl)c1CC1CC1
InChIInChI=1S/C15H16Cl2N2/c1-9-13(7-10-3-4-10)15(19(2)18-9)12-6-5-11(16)8-14(12)17/h5-6,8,10H,3-4,7H2,1-2H3
InChIKeyGHMXMJQKWCEUAC-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.21
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazol-4-yl]methyl]cyclopropanamine
CID 43283266
5-(2-chloro-4-fluorophenyl)-N-(2,4-dichlorophenyl)-1,3-dimethylpyrazol-4-amine
CID 66614296
[4-bromo-5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]methanamine
CID 84610147
2-(2,4-dichlorophenyl)-3,6-dimethyl-5-(1-methylpyrrolidin-3-yl)oxypyrazine
CID 22147446
4-(chloromethyl)-5-(2,4-dichlorophenoxy)-1,3-dimethylpyrazole
CID 28964844
1-(2,4-dichlorophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanone
CID 114281153
3-(2,4-dichlorophenyl)-2,6-dimethyl-7-[(2R)-2-methylbutyl]pyrazolo[5,1-b][1,3]oxazole
CID 143936842
5-(2,4-dichlorophenyl)-3-ethyl-6-methylpyrazin-2-amine
CID 142247147
2-(2,4-dichlorophenyl)-1,4,5-trimethylimidazole
CID 102416631
2,4-dichloro-5-[4-(cyclohexylmethyl)-1,3-dimethylpyrazol-5-yl]oxyphenol
CID 68710448
4-[(2,5-dichlorophenyl)sulfanylmethyl]-N,1,3-trimethylpyrazol-5-amine
CID 55044896
4-(2,4-dichlorophenyl)-3-(2,2-dimethylcyclopropyl)-1-methylpyrazol-5-amine
CID 107001722

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole?
The IUPAC name of 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole (CID 91244918) is 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole.
What is the SMILES notation for 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole?
The canonical SMILES for 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole is Cc1nn(C)c(-c2ccc(Cl)cc2Cl)c1CC1CC1.
What is the InChIKey of 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole?
The InChIKey is GHMXMJQKWCEUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2/c1-9-13(7-10-3-4-10)15(19(2)18-9)12-6-5-11(16)8-14(12)17/h5-6,8,10H,3-4,7H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole?
4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole has a molecular weight of 295.21 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrazole is sourced from PubChem (CID 91244918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).