6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H20N4O — CID 660671

IUPAC6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H20N4O/c1-18(2,3)15-14-12(9-11-7-5-4-6-8-11)13(10-19)16(20)23-17(14)22-21-15/h4-8,12H,9,20H2,1-3H3,(H,21,22)
InChIKeyQFUYHUFCMFAHEG-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.12
Rot. Bonds2

About 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 660671) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID660671
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2
InChIInChI=1S/C18H20N4O/c1-18(2,3)15-14-12(9-11-7-5-4-6-8-11)13(10-19)16(20)23-17(14)22-21-15/h4-8,12H,9,20H2,1-3H3,(H,21,22)
InChIKeyQFUYHUFCMFAHEG-UHFFFAOYSA-N
XLogP3.12
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 660671) is 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)(C)c1[nH]nc2c1C(Cc1ccccc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is QFUYHUFCMFAHEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-18(2,3)15-14-12(9-11-7-5-4-6-8-11)13(10-19)16(20)23-17(14)22-21-15/h4-8,12H,9,20H2,1-3H3,(H,21,22).
What are the key properties of 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-benzyl-3-tert-butyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 660671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).