3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine

C12H16ClN3 — CID 141054546

IUPAC3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ncc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClN3/c1-15(2)6-3-7-16-12-5-4-11(13)8-10(12)9-14-16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyQNURQVHIXCRAJO-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.64
Rot. Bonds4

About 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine

3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine (PubChem CID 141054546) has the molecular formula C12H16ClN3 and a molecular weight of 237.73 g/mol. Its IUPAC name is 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine
PubChem CID141054546
Molecular FormulaC12H16ClN3
Molecular Weight237.73 g/mol
Exact Mass237.10
IUPAC Name3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCn1ncc2cc(Cl)ccc21
InChIInChI=1S/C12H16ClN3/c1-15(2)6-3-7-16-12-5-4-11(13)8-10(12)9-14-16/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyQNURQVHIXCRAJO-UHFFFAOYSA-N
XLogP2.64
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine (CID 141054546) is 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine is CN(C)CCCn1ncc2cc(Cl)ccc21.
What is the InChIKey of 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine?
The InChIKey is QNURQVHIXCRAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3/c1-15(2)6-3-7-16-12-5-4-11(13)8-10(12)9-14-16/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine?
3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine has a molecular weight of 237.73 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindazol-1-yl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 141054546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).