5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine

C15H19N3O — CID 82245601

IUPAC5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine
SMILESCc1ccc2c(c1)C(n1nc(C)cc1N)CCCO2
InChIInChI=1S/C15H19N3O/c1-10-5-6-14-12(8-10)13(4-3-7-19-14)18-15(16)9-11(2)17-18/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyGAWTVBZTHZBJCW-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.84
Rot. Bonds1

About 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine

5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine (PubChem CID 82245601) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine.

Molecular Properties

Compound Name5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine
PubChem CID82245601
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine
SMILESCc1ccc2c(c1)C(n1nc(C)cc1N)CCCO2
InChIInChI=1S/C15H19N3O/c1-10-5-6-14-12(8-10)13(4-3-7-19-14)18-15(16)9-11(2)17-18/h5-6,8-9,13H,3-4,7,16H2,1-2H3
InChIKeyGAWTVBZTHZBJCW-UHFFFAOYSA-N
XLogP2.84
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-5-methylpyrazol-3-amine
CID 82247594
5-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)pyrazol-3-amine
CID 62840410
2-cyclopentyl-5-methylpyrazol-3-amine
CID 3152524
5,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepine;ethane
CID 143826176
1-(3,4-dihydro-2H-chromen-4-yl)-4-iodo-3-methylpyrazol-5-amine
CID 55118042
(4R)-6-methyl-4-propan-2-yl-3,4-dihydro-2H-chromene
CID 167327532
[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl] acetate
CID 102427933
2-N-[(4R)-6-methyl-3,4-dihydro-2H-chromen-4-yl]-1,3,5-triazine-2,4-diamine
CID 58590456
4-[(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-4-oxobutanoic acid
CID 110481780
N-methyl-1-(6-methyl-3,4-dihydro-2H-chromen-4-yl)methanamine
CID 83907392
N-methoxy-6-methyl-3,4-dihydro-2H-chromen-4-amine
CID 81482054
(5R)-7-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97065233

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine?
The IUPAC name of 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine (CID 82245601) is 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine.
What is the SMILES notation for 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine?
The canonical SMILES for 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine is Cc1ccc2c(c1)C(n1nc(C)cc1N)CCCO2.
What is the InChIKey of 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine?
The InChIKey is GAWTVBZTHZBJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-6-14-12(8-10)13(4-3-7-19-14)18-15(16)9-11(2)17-18/h5-6,8-9,13H,3-4,7,16H2,1-2H3.
What are the key properties of 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine?
5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine has a molecular weight of 257.34 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(7-methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrazol-3-amine is sourced from PubChem (CID 82245601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).