4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole

C12H20BrN3 — CID 114656505

IUPAC4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
SMILESCC(C)CC1(c2c(Br)cnn2C)CCCN1
InChIInChI=1S/C12H20BrN3/c1-9(2)7-12(5-4-6-14-12)11-10(13)8-15-16(11)3/h8-9,14H,4-7H2,1-3H3
InChIKeyAVEYBUUWDOJKRU-UHFFFAOYSA-N
MW286.22 g/mol
LogP2.81
Rot. Bonds3

About 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole

4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole (PubChem CID 114656505) has the molecular formula C12H20BrN3 and a molecular weight of 286.22 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
PubChem CID114656505
Molecular FormulaC12H20BrN3
Molecular Weight286.22 g/mol
Exact Mass285.08
IUPAC Name4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
SMILESCC(C)CC1(c2c(Br)cnn2C)CCCN1
InChIInChI=1S/C12H20BrN3/c1-9(2)7-12(5-4-6-14-12)11-10(13)8-15-16(11)3/h8-9,14H,4-7H2,1-3H3
InChIKeyAVEYBUUWDOJKRU-UHFFFAOYSA-N
XLogP2.81
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656507
2-(furan-3-yl)-2-(2-methylpropyl)pyrrolidine
CID 66465627
2-[4-bromo-5-(2-propylpyrrolidin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114656453
3-(4-bromo-1-methylpyrazol-5-yl)-3-fluoropiperidine
CID 114667654
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
4-(4-bromo-1-methylpyrazol-5-yl)-4-fluoropiperidine
CID 114667670
(4-bromo-1-methylpyrazol-5-yl)-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105054014
4-(2-ethylpyrrolidin-2-yl)-1-methylpyrazole
CID 66466689
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propan-2-ylazepane
CID 114657368
2-[4-bromo-5-(2-methylazepan-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114657327
5-methoxy-1-methyl-4-(2-methylpyrrolidin-2-yl)pyrazole
CID 82606362
1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The IUPAC name of 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole (CID 114656505) is 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole.
What is the SMILES notation for 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The canonical SMILES for 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole is CC(C)CC1(c2c(Br)cnn2C)CCCN1.
What is the InChIKey of 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
The InChIKey is AVEYBUUWDOJKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3/c1-9(2)7-12(5-4-6-14-12)11-10(13)8-15-16(11)3/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole?
4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole has a molecular weight of 286.22 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole is sourced from PubChem (CID 114656505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).