6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H14N4O — CID 651013

IUPAC6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-11(7-16)14(17)20-15-12(13)9(2)18-19-15/h3-6,13H,17H2,1-2H3,(H,18,19)
InChIKeyTZQYCHJMTHOIRS-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.24
Rot. Bonds1

About 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 651013) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID651013
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1
InChIInChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-11(7-16)14(17)20-15-12(13)9(2)18-19-15/h3-6,13H,17H2,1-2H3,(H,18,19)
InChIKeyTZQYCHJMTHOIRS-UHFFFAOYSA-N
XLogP2.24
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 651013) is 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)cc1.
What is the InChIKey of 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is TZQYCHJMTHOIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-8-3-5-10(6-4-8)13-11(7-16)14(17)20-15-12(13)9(2)18-19-15/h3-6,13H,17H2,1-2H3,(H,18,19).
What are the key properties of 6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-methyl-4-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 266.30 g/mol, XLogP of 2.24, 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-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 651013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).