3-bromo-1-methyl-6-pyrrolidin-3-ylindazole

C12H14BrN3 — CID 117449510

IUPAC3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
SMILESCn1nc(Br)c2ccc(C3CCNC3)cc21
InChIInChI=1S/C12H14BrN3/c1-16-11-6-8(9-4-5-14-7-9)2-3-10(11)12(13)15-16/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyBIOJZSHTMBFWOW-UHFFFAOYSA-N
MW280.17 g/mol
LogP2.41
Rot. Bonds1

About 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole

3-bromo-1-methyl-6-pyrrolidin-3-ylindazole (PubChem CID 117449510) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole.

Molecular Properties

Compound Name3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
PubChem CID117449510
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name3-bromo-1-methyl-6-pyrrolidin-3-ylindazole
SMILESCn1nc(Br)c2ccc(C3CCNC3)cc21
InChIInChI=1S/C12H14BrN3/c1-16-11-6-8(9-4-5-14-7-9)2-3-10(11)12(13)15-16/h2-3,6,9,14H,4-5,7H2,1H3
InChIKeyBIOJZSHTMBFWOW-UHFFFAOYSA-N
XLogP2.41
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-bromo-1-methyl-6-piperidin-4-yloxyindazole
CID 177142361
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
2-bromo-4-pyrrolidin-3-ylphenol
CID 82622109
9-methyl-5-pyrrolidin-3-yl-9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
CID 117451851
3-(3-propan-2-ylphenyl)pyrrolidine
CID 58484109
9-ethyl-3-pyrrolidin-3-ylcarbazole
CID 117415894
3-(3-bromo-4-propan-2-ylsulfanylphenyl)pyrrolidine
CID 117483956
1,6-dimethyl-3-pyrrolidin-3-yloxyindazole
CID 84694851
3-(4-chloro-3-methylphenyl)pyrrolidine;hydrochloride
CID 169498285
2-bromo-4-piperidin-3-ylaniline
CID 130039466

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole?
The IUPAC name of 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole (CID 117449510) is 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole.
What is the SMILES notation for 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole?
The canonical SMILES for 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole is Cn1nc(Br)c2ccc(C3CCNC3)cc21.
What is the InChIKey of 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole?
The InChIKey is BIOJZSHTMBFWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-16-11-6-8(9-4-5-14-7-9)2-3-10(11)12(13)15-16/h2-3,6,9,14H,4-5,7H2,1H3.
What are the key properties of 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole?
3-bromo-1-methyl-6-pyrrolidin-3-ylindazole has a molecular weight of 280.17 g/mol, XLogP of 2.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methyl-6-pyrrolidin-3-ylindazole is sourced from PubChem (CID 117449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).