3-bromo-5-propyl-2H-indazole

C10H11BrN2 — CID 114589273

IUPAC3-bromo-5-propyl-2H-indazole
SMILESCCCc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H11BrN2/c1-2-3-7-4-5-9-8(6-7)10(11)13-12-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZGDJBPZUGXZJDQ-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.28
Rot. Bonds2

About 3-bromo-5-propyl-2H-indazole

3-bromo-5-propyl-2H-indazole (PubChem CID 114589273) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 3-bromo-5-propyl-2H-indazole.

Molecular Properties

Compound Name3-bromo-5-propyl-2H-indazole
PubChem CID114589273
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name3-bromo-5-propyl-2H-indazole
SMILESCCCc1ccc2n[nH]c(Br)c2c1
InChIInChI=1S/C10H11BrN2/c1-2-3-7-4-5-9-8(6-7)10(11)13-12-9/h4-6H,2-3H2,1H3,(H,12,13)
InChIKeyZGDJBPZUGXZJDQ-UHFFFAOYSA-N
XLogP3.28
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-ethyl-5-propyl-2H-indazole
CID 88974501
3-(3-bromo-2H-indazol-5-yl)propan-1-ol
CID 117390333
(3-bromo-2H-indazol-5-yl)methanol
CID 84690914
1-(3-bromo-2H-indazol-5-yl)-N-methoxymethanamine
CID 117393227
3-bromo-5-(pyrrolidin-2-ylmethyl)-2H-indazole
CID 117449482
2-(3-ethyl-2H-indazol-5-yl)ethanamine
CID 105443877
2-(3-propan-2-yl-2H-indazol-5-yl)ethanamine
CID 105455752
1-bromo-6-propylisoquinoline
CID 82276403
4-chloro-2,6-dipropylquinoline
CID 43668449
(5-ethyl-2H-indazol-3-yl)methanol
CID 76846312
3-(3-propan-2-yl-2H-indazol-5-yl)propanoic acid
CID 105491035
1,2-bis(ethenyl)-4-propylbenzene
CID 142025634

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-propyl-2H-indazole?
The IUPAC name of 3-bromo-5-propyl-2H-indazole (CID 114589273) is 3-bromo-5-propyl-2H-indazole.
What is the SMILES notation for 3-bromo-5-propyl-2H-indazole?
The canonical SMILES for 3-bromo-5-propyl-2H-indazole is CCCc1ccc2n[nH]c(Br)c2c1.
What is the InChIKey of 3-bromo-5-propyl-2H-indazole?
The InChIKey is ZGDJBPZUGXZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-2-3-7-4-5-9-8(6-7)10(11)13-12-9/h4-6H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-bromo-5-propyl-2H-indazole?
3-bromo-5-propyl-2H-indazole has a molecular weight of 239.12 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-propyl-2H-indazole is sourced from PubChem (CID 114589273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).