(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine

C12H20N6 — CID 125445317

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCCn2ccnn2)n1
InChIInChI=1S/C12H20N6/c1-10-8-12(3)18(15-10)9-11(2)13-4-6-17-7-5-14-16-17/h5,7-8,11,13H,4,6,9H2,1-3H3/t11-/m1/s1
InChIKeyJNPLQDDNIUZBJQ-LLVKDONJSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds6

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine (PubChem CID 125445317) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
PubChem CID125445317
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCCn2ccnn2)n1
InChIInChI=1S/C12H20N6/c1-10-8-12(3)18(15-10)9-11(2)13-4-6-17-7-5-14-16-17/h5,7-8,11,13H,4,6,9H2,1-3H3/t11-/m1/s1
InChIKeyJNPLQDDNIUZBJQ-LLVKDONJSA-N
XLogP0.77
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-pyrazol-1-ylpropan-2-amine
CID 131935574
N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62562787
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131923791
(2S)-2-(3,5-dimethylpyrazol-1-yl)-N-[3-(triazol-1-yl)propyl]propanamide
CID 124616477
N-[2-[[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]amino]ethyl]-N-methylmethanesulfonamide
CID 95209232
1-(4-bromophenyl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine
CID 103522462
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
1-(2-methylphenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374915
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62447780
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]pyridazin-3-amine
CID 133449492
1-(2-bromophenyl)-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 113374917

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine (CID 125445317) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCCn2ccnn2)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine?
The InChIKey is JNPLQDDNIUZBJQ-LLVKDONJSA-N. The full InChI is InChI=1S/C12H20N6/c1-10-8-12(3)18(15-10)9-11(2)13-4-6-17-7-5-14-16-17/h5,7-8,11,13H,4,6,9H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine has a molecular weight of 248.33 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(triazol-1-yl)ethyl]propan-2-amine is sourced from PubChem (CID 125445317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).