1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine

C15H19N5 — CID 63000923

IUPAC1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H19N5/c1-12(10-20-8-7-16-11-20)17-9-14-13-5-3-4-6-15(13)19(2)18-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyKPLANXXFYCZENF-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.95
Rot. Bonds5

About 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine

1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine (PubChem CID 63000923) has the molecular formula C15H19N5 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
PubChem CID63000923
Molecular FormulaC15H19N5
Molecular Weight269.35 g/mol
Exact Mass269.16
IUPAC Name1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine
SMILESCC(Cn1ccnc1)NCc1nn(C)c2ccccc12
InChIInChI=1S/C15H19N5/c1-12(10-20-8-7-16-11-20)17-9-14-13-5-3-4-6-15(13)19(2)18-14/h3-8,11-12,17H,9-10H2,1-2H3
InChIKeyKPLANXXFYCZENF-UHFFFAOYSA-N
XLogP1.95
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-methylindazol-3-yl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 63001915
N-[(1-methylindazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639747
N-[(1-methylindazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 63000817
1-imidazol-1-yl-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 78943044
(2R)-2-[(1-methylindazol-3-yl)methylamino]propanoic acid
CID 83195291
1-imidazol-1-yl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 54958968
4-methyl-3-[(1-methylindazol-3-yl)methylamino]pentan-1-ol
CID 103701006
1-imidazol-1-yl-N-[(4-propan-2-ylphenyl)methyl]propan-2-amine
CID 43435582
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1,1-dicyclopropyl-N-[(1-methylindazol-3-yl)methyl]methanamine
CID 63001612
(1R)-1-(4-fluorophenyl)-N-[(1-methylindazol-3-yl)methyl]ethanamine
CID 81348302
1-imidazol-1-yl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 43749812

Frequently Asked Questions

What is the IUPAC name of 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine (CID 63000923) is 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine is CC(Cn1ccnc1)NCc1nn(C)c2ccccc12.
What is the InChIKey of 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine?
The InChIKey is KPLANXXFYCZENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5/c1-12(10-20-8-7-16-11-20)17-9-14-13-5-3-4-6-15(13)19(2)18-14/h3-8,11-12,17H,9-10H2,1-2H3.
What are the key properties of 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine?
1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-1-yl-N-[(1-methylindazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 63000923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).