5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine

C15H19N3O2 — CID 117435984

IUPAC5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine
SMILESCC(C)c1cc2c(cc1-c1cc(N)n[nH]1)OCCCO2
InChIInChI=1S/C15H19N3O2/c1-9(2)10-6-13-14(20-5-3-4-19-13)7-11(10)12-8-15(16)18-17-12/h6-9H,3-5H2,1-2H3,(H3,16,17,18)
InChIKeyRUHGQBHJFHZYMX-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.94
Rot. Bonds2

About 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine

5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine (PubChem CID 117435984) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine
PubChem CID117435984
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine
SMILESCC(C)c1cc2c(cc1-c1cc(N)n[nH]1)OCCCO2
InChIInChI=1S/C15H19N3O2/c1-9(2)10-6-13-14(20-5-3-4-19-13)7-11(10)12-8-15(16)18-17-12/h6-9H,3-5H2,1-2H3,(H3,16,17,18)
InChIKeyRUHGQBHJFHZYMX-UHFFFAOYSA-N
XLogP2.94
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine with MolForge

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Related Compounds

5-(6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117341723
5-[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]-1H-pyrazol-3-amine
CID 117459208
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117369983
5-[7-(1-fluoroethyl)-3,4-dihydro-2H-1,5-benzodioxepin-8-yl]-1,2-oxazol-3-amine
CID 117445855
8-methyl-7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 142578042
7-bromo-8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine
CID 84712960
6-(3-amino-1H-pyrazol-5-yl)-1,3-benzodioxol-5-ol
CID 136993722
5-(6,7-dimethyl-1,3-benzodioxol-5-yl)-1H-pyrazol-3-amine
CID 117334141
6-(3-amino-1H-pyrazol-5-yl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 137011612
5-[6-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzodioxepin-9-yl]-1H-pyrazol-3-amine
CID 117482126
5-(5-chloro-6-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazol-3-amine
CID 117427132
2-amino-2-(8-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetic acid
CID 117417133

Frequently Asked Questions

What is the IUPAC name of 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine (CID 117435984) is 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine is CC(C)c1cc2c(cc1-c1cc(N)n[nH]1)OCCCO2.
What is the InChIKey of 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine?
The InChIKey is RUHGQBHJFHZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-9(2)10-6-13-14(20-5-3-4-19-13)7-11(10)12-8-15(16)18-17-12/h6-9H,3-5H2,1-2H3,(H3,16,17,18).
What are the key properties of 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine?
5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine has a molecular weight of 273.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117435984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).