1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

C13H13Cl2N3O — CID 102943085

IUPAC1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCc1cc(Cl)c(-n2nc(N)c3c2CCOC3)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(15)12(5-9(7)14)18-11-2-3-19-6-8(11)13(16)17-18/h4-5H,2-3,6H2,1H3,(H2,16,17)
InChIKeyBCSYORXQBYPGKE-UHFFFAOYSA-N
MW298.17 g/mol
LogP3.14
Rot. Bonds1

About 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (PubChem CID 102943085) has the molecular formula C13H13Cl2N3O and a molecular weight of 298.17 g/mol. Its IUPAC name is 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
PubChem CID102943085
Molecular FormulaC13H13Cl2N3O
Molecular Weight298.17 g/mol
Exact Mass297.04
IUPAC Name1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCc1cc(Cl)c(-n2nc(N)c3c2CCOC3)cc1Cl
InChIInChI=1S/C13H13Cl2N3O/c1-7-4-10(15)12(5-9(7)14)18-11-2-3-19-6-8(11)13(16)17-18/h4-5H,2-3,6H2,1H3,(H2,16,17)
InChIKeyBCSYORXQBYPGKE-UHFFFAOYSA-N
XLogP3.14
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.17
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (CID 102943085) is 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is Cc1cc(Cl)c(-n2nc(N)c3c2CCOC3)cc1Cl.
What is the InChIKey of 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The InChIKey is BCSYORXQBYPGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2N3O/c1-7-4-10(15)12(5-9(7)14)18-11-2-3-19-6-8(11)13(16)17-18/h4-5H,2-3,6H2,1H3,(H2,16,17).
What are the key properties of 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine has a molecular weight of 298.17 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloro-4-methylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 102943085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).