4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole

C15H24BrN3 — CID 66466489

IUPAC4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(C3CC3)CCCN2)c1Br
InChIInChI=1S/C15H24BrN3/c1-3-12-14(16)13(19(4-2)18-12)10-15(11-6-7-11)8-5-9-17-15/h11,17H,3-10H2,1-2H3
InChIKeyQPEJVJSHJLDIDA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.30
Rot. Bonds5

About 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole

4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole (PubChem CID 66466489) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
PubChem CID66466489
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC Name4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole
SMILESCCc1nn(CC)c(CC2(C3CC3)CCCN2)c1Br
InChIInChI=1S/C15H24BrN3/c1-3-12-14(16)13(19(4-2)18-12)10-15(11-6-7-11)8-5-9-17-15/h11,17H,3-10H2,1-2H3
InChIKeyQPEJVJSHJLDIDA-UHFFFAOYSA-N
XLogP3.30
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-3-ethyl-1-methylpyrazole
CID 66466493
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603664
N-[[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]methyl]propan-2-amine
CID 66024898
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-fluorocyclohexan-1-amine
CID 112567519
1-[1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797179
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3-propan-2-ylcyclohexan-1-ol
CID 107449696
4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
CID 66467439
1-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]-3,3-dimethylcyclopentan-1-amine
CID 80692467
4-bromo-1-ethyl-5-[(2-ethylpyrrolidin-2-yl)methyl]-3-methylpyrazole
CID 66466236
(3S)-3-[(4-bromo-1,3-diethylpyrazol-5-yl)methoxy]piperidine
CID 66245604
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]azepan-2-one
CID 104679680
3-[(4-bromo-1,3-diethylpyrazol-5-yl)methyl]piperidin-4-ol
CID 114451911

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole?
The IUPAC name of 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole (CID 66466489) is 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole.
What is the SMILES notation for 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole?
The canonical SMILES for 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole is CCc1nn(CC)c(CC2(C3CC3)CCCN2)c1Br.
What is the InChIKey of 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole?
The InChIKey is QPEJVJSHJLDIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-3-12-14(16)13(19(4-2)18-12)10-15(11-6-7-11)8-5-9-17-15/h11,17H,3-10H2,1-2H3.
What are the key properties of 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole?
4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole has a molecular weight of 326.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-cyclopropylpyrrolidin-2-yl)methyl]-1,3-diethylpyrazole is sourced from PubChem (CID 66466489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).