3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

C6H7BrN2 — CID 15287071

IUPAC3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESBrc1cnn2c1CCC2
InChIInChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyASLSBGAOXZIHHP-UHFFFAOYSA-N
MW187.04 g/mol
LogP1.59
Rot. Bonds

About 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole

3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (PubChem CID 15287071) has the molecular formula C6H7BrN2 and a molecular weight of 187.04 g/mol. Its IUPAC name is 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
PubChem CID15287071
Molecular FormulaC6H7BrN2
Molecular Weight187.04 g/mol
Exact Mass185.98
IUPAC Name3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole
SMILESBrc1cnn2c1CCC2
InChIInChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2
InChIKeyASLSBGAOXZIHHP-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.04
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 60136507
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CID 51341933
4-Bromo-5-Ethyl-1-Methyl-1H-Pyrazole
CID 57801631
4-bromo-3-ethyl-1-methyl-1H-pyrazole
CID 66008692
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CID 70800682
3-bromo-4H,5H,6H,7H-pyrazolo[1,5-a]pyridine
CID 72212717
2-bromo-4H,5H,6H-pyrrolo[1,2-b]pyrazole
CID 90319196
3-iodo-4H,5H,6H-pyrrolo(1,2-b)pyrazole
CID 122129708
5,6-Dihydro-4H-pyrrolo(1,2-b)pyrazole
CID 11073365
4-bromo-3-cyclopropyl-1-propyl-1H-pyrazole
CID 50896550
4-Bromo-5-(2-bromoethyl)-1-propan-2-ylpyrazole
CID 114662579
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CID 146049296

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The IUPAC name of 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole (CID 15287071) is 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole.
What is the SMILES notation for 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The canonical SMILES for 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is Brc1cnn2c1CCC2.
What is the InChIKey of 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
The InChIKey is ASLSBGAOXZIHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2/c7-5-4-8-9-3-1-2-6(5)9/h4H,1-3H2.
What are the key properties of 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole?
3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole has a molecular weight of 187.04 g/mol, XLogP of 1.59, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazole is sourced from PubChem (CID 15287071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).