4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole

C15H22Br2N2 — CID 170458521

IUPAC4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(C[C@@H]2[C@H](C=C(Br)Br)C2(C)C)c1C
InChIInChI=1S/C15H22Br2N2/c1-6-19-10(3)11(9(2)18-19)7-12-13(8-14(16)17)15(12,4)5/h8,12-13H,6-7H2,1-5H3/t12-,13+/m1/s1
InChIKeyKKKLANUGGWPGEE-OLZOCXBDSA-N
MW390.16 g/mol
LogP4.97
Rot. Bonds4

About 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole

4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole (PubChem CID 170458521) has the molecular formula C15H22Br2N2 and a molecular weight of 390.16 g/mol. Its IUPAC name is 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole
PubChem CID170458521
Molecular FormulaC15H22Br2N2
Molecular Weight390.16 g/mol
Exact Mass388.01
IUPAC Name4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(C[C@@H]2[C@H](C=C(Br)Br)C2(C)C)c1C
InChIInChI=1S/C15H22Br2N2/c1-6-19-10(3)11(9(2)18-19)7-12-13(8-14(16)17)15(12,4)5/h8,12-13H,6-7H2,1-5H3/t12-,13+/m1/s1
InChIKeyKKKLANUGGWPGEE-OLZOCXBDSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.16
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole?
The IUPAC name of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole (CID 170458521) is 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole is CCn1nc(C)c(C[C@@H]2[C@H](C=C(Br)Br)C2(C)C)c1C.
What is the InChIKey of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole?
The InChIKey is KKKLANUGGWPGEE-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H22Br2N2/c1-6-19-10(3)11(9(2)18-19)7-12-13(8-14(16)17)15(12,4)5/h8,12-13H,6-7H2,1-5H3/t12-,13+/m1/s1.
What are the key properties of 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole?
4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole has a molecular weight of 390.16 g/mol, XLogP of 4.97, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropyl]methyl]-1-ethyl-3,5-dimethylpyrazole is sourced from PubChem (CID 170458521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).