3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine

C16H22N4 — CID 66014243

IUPAC3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCc3ccccc3CC2)c1N
InChIInChI=1S/C16H22N4/c1-3-14-15(17)16(19(2)18-14)20-10-8-12-6-4-5-7-13(12)9-11-20/h4-7H,3,8-11,17H2,1-2H3
InChIKeyOAXAJGVQWPQXFW-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.17
Rot. Bonds2

About 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine

3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine (PubChem CID 66014243) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine
PubChem CID66014243
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine
SMILESCCc1nn(C)c(N2CCc3ccccc3CC2)c1N
InChIInChI=1S/C16H22N4/c1-3-14-15(17)16(19(2)18-14)20-10-8-12-6-4-5-7-13(12)9-11-20/h4-7H,3,8-11,17H2,1-2H3
InChIKeyOAXAJGVQWPQXFW-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(cyclohexylmethyl)-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 869112
1-Cyclohexyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 599772
1-benzyl-3-methyl-4-phenyl-1H-pyrazol-5-amine
CID 684795
1,3,8-Trimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepine
CID 12751409
1,3-dimethyl-4-(3-methylphenyl)-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 136114674
3-(1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepin-4-yl)aniline
CID 136114676
4-(3-azidophenyl)-1,3-dimethyl-7,8-dihydro-6H-pyrazolo[5,4-e][1,4]diazepine
CID 136114691
2-methyl-4-(3-methylbutyl)-3-(2-phenylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806170
2-methyl-4-(3-methylbutyl)-3-(2-propan-2-ylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine
CID 134806834
US11312688, Example 357
CID 66665047
3,5-Dimethyl-7-phenyl-1,3,4,8-tetrazatricyclo[8.4.0.02,6]tetradeca-2(6),4,7-triene
CID 12751416
3-(1,3-dimethyl-4-phenyl-6,7-dihydropyrazolo[5,4-e][1,4]diazepin-8-yl)-N,N-dimethylpropan-1-amine
CID 12751449

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine?
The IUPAC name of 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine (CID 66014243) is 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine.
What is the SMILES notation for 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine?
The canonical SMILES for 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine is CCc1nn(C)c(N2CCc3ccccc3CC2)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine?
The InChIKey is OAXAJGVQWPQXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-14-15(17)16(19(2)18-14)20-10-8-12-6-4-5-7-13(12)9-11-20/h4-7H,3,8-11,17H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine?
3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine has a molecular weight of 270.38 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrazol-4-amine is sourced from PubChem (CID 66014243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).