4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole

C13H22BrN3 — CID 66468066

IUPAC4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCCC1(Cc2c(Br)c(C)nn2C)CCCN1
InChIInChI=1S/C13H22BrN3/c1-4-6-13(7-5-8-15-13)9-11-12(14)10(2)16-17(11)3/h15H,4-9H2,1-3H3
InChIKeyBWJKACQOCCWCSF-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.96
Rot. Bonds4

About 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole

4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole (PubChem CID 66468066) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
PubChem CID66468066
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole
SMILESCCCC1(Cc2c(Br)c(C)nn2C)CCCN1
InChIInChI=1S/C13H22BrN3/c1-4-6-13(7-5-8-15-13)9-11-12(14)10(2)16-17(11)3/h15H,4-9H2,1-3H3
InChIKeyBWJKACQOCCWCSF-UHFFFAOYSA-N
XLogP2.96
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2-propylazepane
CID 79118751
4-bromo-1-ethyl-5-[(2-ethylpyrrolidin-2-yl)methyl]-3-methylpyrazole
CID 66466236
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]pyrrolidine-2-carboxylic acid
CID 83079779
1-methyl-2-[(2-propylpyrrolidin-2-yl)methyl]imidazole
CID 79760630
2,2-dipropylpyrrolidine
CID 13332418
4-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]-1,3-dimethylpyrazole
CID 112564236
2-[(2-methyl-1,2,4-triazol-3-yl)methyl]-2-propylazepane
CID 79119255
2-propyl-2-[(2,4,6-trimethylphenyl)methyl]pyrrolidine
CID 66466930
1-[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]cyclopropyl]ethanone
CID 106797116
2-[(5-bromothiophen-2-yl)methyl]-2-propylpyrrolidine
CID 66468528
4-bromo-5-[(2-tert-butylpyrrolidin-2-yl)methyl]-1-ethyl-3-methylpyrazole
CID 66467439
(2R)-2-benzyl-2-propylpyrrolidine
CID 124511321

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole?
The IUPAC name of 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole (CID 66468066) is 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole?
The canonical SMILES for 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole is CCCC1(Cc2c(Br)c(C)nn2C)CCCN1.
What is the InChIKey of 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole?
The InChIKey is BWJKACQOCCWCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-4-6-13(7-5-8-15-13)9-11-12(14)10(2)16-17(11)3/h15H,4-9H2,1-3H3.
What are the key properties of 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole?
4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole has a molecular weight of 300.24 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1,3-dimethyl-5-[(2-propylpyrrolidin-2-yl)methyl]pyrazole is sourced from PubChem (CID 66468066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).