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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Related Compounds

1-[3-(dimethylamino)propyl]indazole-5-carboxamide
CID 22933619
5-chloro-1-[(4-chlorophenyl)methyl]indazole
CID 59148107
3-[5-chloro-2-(2-chloroethyl)benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 43666496
[5-chloro-1-[3-(dimethylamino)propyl]benzimidazol-2-yl]methanethiol
CID 82332768
N-(2-indazol-1-ylethyl)-N',N'-dimethylpropane-1,3-diamine
CID 62564894
ethane;2-indazol-1-yl-N,N-dimethylethanamine;propane
CID 145062231
6-chloro-3-[3-(dimethylamino)propyl]-1H-benzimidazole-2-thione
CID 43659274
3-[5-chloro-2-[(4-chlorophenoxy)methyl]benzimidazol-1-yl]-N,N-dimethylpropan-1-amine
CID 46309007
3-[3-(4-chlorophenyl)pyrazolo[4,3-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 19930485
4-amino-1-(4-chlorophenyl)-3-[1-[2-(dimethylamino)ethyl]indazol-5-yl]-7-methyl-1,8-naphthyridin-2-one
CID 175617096
1-[3-(methylamino)propyl]indazol-5-amine
CID 142717359
5-amino-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 103218206

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).