4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole

C15H18BrN3 — CID 84604183

IUPAC4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1ccc(-c2cnn(CC3CCCN3)c2)cc1Br
InChIInChI=1S/C15H18BrN3/c1-11-4-5-12(7-15(11)16)13-8-18-19(9-13)10-14-3-2-6-17-14/h4-5,7-9,14,17H,2-3,6,10H2,1H3
InChIKeyUHLKHOJFHFENGG-UHFFFAOYSA-N
MW320.23 g/mol
LogP3.37
Rot. Bonds3

About 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole

4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole (PubChem CID 84604183) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
PubChem CID84604183
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole
SMILESCc1ccc(-c2cnn(CC3CCCN3)c2)cc1Br
InChIInChI=1S/C15H18BrN3/c1-11-4-5-12(7-15(11)16)13-8-18-19(9-13)10-14-3-2-6-17-14/h4-5,7-9,14,17H,2-3,6,10H2,1H3
InChIKeyUHLKHOJFHFENGG-UHFFFAOYSA-N
XLogP3.37
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-bromo-4-methylphenyl)-5-methyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84609990
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
2-[[4-(furan-2-yl)pyrazol-1-yl]methyl]piperidine
CID 121214008
2-[[4-(3-methylphenoxy)pyrazol-1-yl]methyl]piperidine
CID 117125038
1,4-dimethylpyrazole;ethane;4-propan-2-yl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 171834779
methyl 1-(piperidin-2-ylmethyl)pyrazole-4-carboxylate
CID 84735437
4-(3-fluoro-4-methylphenyl)-1-(oxan-2-ylmethyl)pyrazole
CID 155276041
3-[1-(2,3-difluorophenyl)tetrazol-5-yl]-5-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 66867963
4-[1-[[(1S)-2-methylcyclopropyl]methyl]pyrazol-4-yl]benzene-1,2-diamine
CID 129246134
3-bromo-4-methyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793684
7-bromo-1-(pyrrolidin-2-ylmethyl)indazole
CID 84811810
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-[1-(pyrrolidin-2-ylmethyl)pyrazol-4-yl]pyridin-2-amine
CID 72986690

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The IUPAC name of 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole (CID 84604183) is 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole.
What is the SMILES notation for 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The canonical SMILES for 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole is Cc1ccc(-c2cnn(CC3CCCN3)c2)cc1Br.
What is the InChIKey of 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole?
The InChIKey is UHLKHOJFHFENGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-11-4-5-12(7-15(11)16)13-8-18-19(9-13)10-14-3-2-6-17-14/h4-5,7-9,14,17H,2-3,6,10H2,1H3.
What are the key properties of 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole?
4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole has a molecular weight of 320.23 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-methylphenyl)-1-(pyrrolidin-2-ylmethyl)pyrazole is sourced from PubChem (CID 84604183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).