1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

C16H21N3O — CID 102942928

IUPAC1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCC(C)(C)c1ccccc1-n1nc(N)c2c1CCOC2
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-6-4-5-7-14(12)19-13-8-9-20-10-11(13)15(17)18-19/h4-7H,8-10H2,1-3H3,(H2,17,18)
InChIKeySWZWZGGTFPQEHT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds1

About 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine

1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (PubChem CID 102942928) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.

Molecular Properties

Compound Name1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
PubChem CID102942928
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine
SMILESCC(C)(C)c1ccccc1-n1nc(N)c2c1CCOC2
InChIInChI=1S/C16H21N3O/c1-16(2,3)12-6-4-5-7-14(12)19-13-8-9-20-10-11(13)15(17)18-19/h4-7H,8-10H2,1-3H3,(H2,17,18)
InChIKeySWZWZGGTFPQEHT-UHFFFAOYSA-N
XLogP2.82
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The IUPAC name of 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine (CID 102942928) is 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine.
What is the SMILES notation for 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The canonical SMILES for 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is CC(C)(C)c1ccccc1-n1nc(N)c2c1CCOC2.
What is the InChIKey of 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
The InChIKey is SWZWZGGTFPQEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-16(2,3)12-6-4-5-7-14(12)19-13-8-9-20-10-11(13)15(17)18-19/h4-7H,8-10H2,1-3H3,(H2,17,18).
What are the key properties of 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine?
1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-tert-butylphenyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-amine is sourced from PubChem (CID 102942928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).