(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine

C19H26N4 — CID 95200660

IUPAC(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCCc2c[nH]c3c(C)cccc23)n1
InChIInChI=1S/C19H26N4/c1-13-6-5-7-18-17(11-21-19(13)18)8-9-20-15(3)12-23-16(4)10-14(2)22-23/h5-7,10-11,15,20-21H,8-9,12H2,1-4H3/t15-/m1/s1
InChIKeyTUZUSCSNMNEZII-OAHLLOKOSA-N
MW310.45 g/mol
LogP3.51
Rot. Bonds6

About (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine

(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine (PubChem CID 95200660) has the molecular formula C19H26N4 and a molecular weight of 310.45 g/mol. Its IUPAC name is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine
PubChem CID95200660
Molecular FormulaC19H26N4
Molecular Weight310.45 g/mol
Exact Mass310.22
IUPAC Name(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine
SMILESCc1cc(C)n(C[C@@H](C)NCCc2c[nH]c3c(C)cccc23)n1
InChIInChI=1S/C19H26N4/c1-13-6-5-7-18-17(11-21-19(13)18)8-9-20-15(3)12-23-16(4)10-14(2)22-23/h5-7,10-11,15,20-21H,8-9,12H2,1-4H3/t15-/m1/s1
InChIKeyTUZUSCSNMNEZII-OAHLLOKOSA-N
XLogP3.51
TPSA45.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.45
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine with MolForge

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Related Compounds

1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methyl-3-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111783800
(2S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 95197634
1-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-propan-2-yl-1,2,4-triazol-3-yl)ethyl]propan-2-amine
CID 131923791
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium
CID 170598949
2-(7-methyl-1H-indol-3-yl)ethanamine chloride
CID 53351005
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-3-(1H-indol-3-yl)propanamide
CID 47042483
1-butan-2-yl-2-[2-(7-methyl-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111464833
2-(7-methyl-1H-indol-3-yl)ethyl-propan-2-ylazanium iodide
CID 170339447
2-methyl-1-N-[2-(7-methyl-1H-indol-3-yl)ethyl]benzene-1,4-diamine
CID 59493253
2-methyl-1-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(2-methylpropyl)guanidine
CID 111781710
N-[2-(7-methyl-1H-indol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 118764571

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The IUPAC name of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine (CID 95200660) is (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine is Cc1cc(C)n(C[C@@H](C)NCCc2c[nH]c3c(C)cccc23)n1.
What is the InChIKey of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
The InChIKey is TUZUSCSNMNEZII-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N4/c1-13-6-5-7-18-17(11-21-19(13)18)8-9-20-15(3)12-23-16(4)10-14(2)22-23/h5-7,10-11,15,20-21H,8-9,12H2,1-4H3/t15-/m1/s1.
What are the key properties of (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine?
(2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine has a molecular weight of 310.45 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3,5-dimethylpyrazol-1-yl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 95200660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).