cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C15H20Cl2N2O2 — CID 940136

IUPACcis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCc1cc(C)n(CCOC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1
InChIInChI=1S/C15H20Cl2N2O2/c1-9-7-10(2)19(18-9)5-6-21-14(20)13-11(8-12(16)17)15(13,3)4/h7-8,11,13H,5-6H2,1-4H3/t11-,13+/m1/s1
InChIKeyDHKMJAHFQFYQLM-YPMHNXCESA-N
MW331.24 g/mol
LogP3.63
Rot. Bonds5

About cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 940136) has the molecular formula C15H20Cl2N2O2 and a molecular weight of 331.24 g/mol. Its IUPAC name is cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namecis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID940136
Molecular FormulaC15H20Cl2N2O2
Molecular Weight331.24 g/mol
Exact Mass330.09
IUPAC Namecis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCc1cc(C)n(CCOC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1
InChIInChI=1S/C15H20Cl2N2O2/c1-9-7-10(2)19(18-9)5-6-21-14(20)13-11(8-12(16)17)15(13,3)4/h7-8,11,13H,5-6H2,1-4H3/t11-,13+/m1/s1
InChIKeyDHKMJAHFQFYQLM-YPMHNXCESA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate with MolForge

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 47014967
2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11174458
2-(3,5-dimethylpyrazol-1-yl)ethyl 2-methylbutanoate
CID 134460631
cis-[(1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1S,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88637023
trans-[(1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl] (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 98114590
3-(2-chloro-3-pyridinyl)propyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11279945
2-(3,5-dimethylpyrazol-1-yl)ethyl 2,2-dimethylbutanoate
CID 126764031
[3-[(E)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropyl]-(3,5-dimethylpyrazol-1-yl)methanone
CID 126456879
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
trans-(2-chloro-6-methylphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154164961
(2,4-difluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88762582
trans-(2,3,5,6-tetrafluoro-4-pyridinyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88661930

Frequently Asked Questions

What is the IUPAC name of cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 940136) is cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is Cc1cc(C)n(CCOC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)n1.
What is the InChIKey of cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is DHKMJAHFQFYQLM-YPMHNXCESA-N. The full InChI is InChI=1S/C15H20Cl2N2O2/c1-9-7-10(2)19(18-9)5-6-21-14(20)13-11(8-12(16)17)15(13,3)4/h7-8,11,13H,5-6H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 331.24 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-2-(3,5-dimethylpyrazol-1-yl)ethyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 940136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).