3-(7-chloro-1-methylindazol-5-yl)propan-1-amine

C11H14ClN3 — CID 83891471

IUPAC3-(7-chloro-1-methylindazol-5-yl)propan-1-amine
SMILESCn1ncc2cc(CCCN)cc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-15-11-9(7-14-15)5-8(3-2-4-13)6-10(11)12/h5-7H,2-4,13H2,1H3
InChIKeyJKBNHDILLUUQBJ-UHFFFAOYSA-N
MW223.71 g/mol
LogP2.12
Rot. Bonds3

About 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine

3-(7-chloro-1-methylindazol-5-yl)propan-1-amine (PubChem CID 83891471) has the molecular formula C11H14ClN3 and a molecular weight of 223.71 g/mol. Its IUPAC name is 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name3-(7-chloro-1-methylindazol-5-yl)propan-1-amine
PubChem CID83891471
Molecular FormulaC11H14ClN3
Molecular Weight223.71 g/mol
Exact Mass223.09
IUPAC Name3-(7-chloro-1-methylindazol-5-yl)propan-1-amine
SMILESCn1ncc2cc(CCCN)cc(Cl)c21
InChIInChI=1S/C11H14ClN3/c1-15-11-9(7-14-15)5-8(3-2-4-13)6-10(11)12/h5-7H,2-4,13H2,1H3
InChIKeyJKBNHDILLUUQBJ-UHFFFAOYSA-N
XLogP2.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.71
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(7-chloro-1-methylindazol-5-yl)acetic acid
CID 83891916
7-chloro-5-methoxy-1-methylindazole
CID 84667229
2-(1-methylpyrazolo[5,4-b]pyridin-5-yl)ethanamine
CID 19620145
7-chloro-1-methylindazole-5-carboxylic acid
CID 83885208
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
4-(3-aminopropyl)-2-chloro-6-methylphenol
CID 84775581
5-chloro-1,7-dimethylindazole
CID 121266447
3-(3-chloro-4-methoxy-5-methylphenyl)propan-1-amine
CID 84783186
(5-chloro-1-methylpyrazolo[3,4-c]pyridin-7-yl)methanol
CID 121415267
3-(3-chloro-4,5-dimethoxyphenyl)propan-1-amine
CID 82161696
(5-chloro-1-methylindazol-7-yl)methanol
CID 90418573
5-chloro-7-iodo-1-methylpyrazolo[3,4-c]pyridine
CID 121416264

Frequently Asked Questions

What is the IUPAC name of 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine?
The IUPAC name of 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine (CID 83891471) is 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine.
What is the SMILES notation for 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine?
The canonical SMILES for 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine is Cn1ncc2cc(CCCN)cc(Cl)c21.
What is the InChIKey of 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine?
The InChIKey is JKBNHDILLUUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3/c1-15-11-9(7-14-15)5-8(3-2-4-13)6-10(11)12/h5-7H,2-4,13H2,1H3.
What are the key properties of 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine?
3-(7-chloro-1-methylindazol-5-yl)propan-1-amine has a molecular weight of 223.71 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-chloro-1-methylindazol-5-yl)propan-1-amine is sourced from PubChem (CID 83891471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).