6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile

C14H14N4O — CID 135345473

IUPAC6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile
SMILESCc1[nH]nc2c1C(C#N)(c1ccccc1)CC(N)O2
InChIInChI=1S/C14H14N4O/c1-9-12-13(18-17-9)19-11(16)7-14(12,8-15)10-5-3-2-4-6-10/h2-6,11H,7,16H2,1H3,(H,17,18)
InChIKeyLPRKNRINJAMFOB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.60
Rot. Bonds1

About 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile

6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile (PubChem CID 135345473) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile
PubChem CID135345473
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile
SMILESCc1[nH]nc2c1C(C#N)(c1ccccc1)CC(N)O2
InChIInChI=1S/C14H14N4O/c1-9-12-13(18-17-9)19-11(16)7-14(12,8-15)10-5-3-2-4-6-10/h2-6,11H,7,16H2,1H3,(H,17,18)
InChIKeyLPRKNRINJAMFOB-UHFFFAOYSA-N
XLogP1.60
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile (CID 135345473) is 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile is Cc1[nH]nc2c1C(C#N)(c1ccccc1)CC(N)O2.
What is the InChIKey of 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile?
The InChIKey is LPRKNRINJAMFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-9-12-13(18-17-9)19-11(16)7-14(12,8-15)10-5-3-2-4-6-10/h2-6,11H,7,16H2,1H3,(H,17,18).
What are the key properties of 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile?
6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-4-phenyl-5,6-dihydro-2H-pyrano[2,3-c]pyrazole-4-carbonitrile is sourced from PubChem (CID 135345473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).