6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H18N4O — CID 71628541

About 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 71628541) has the molecular formula C18H18N4O and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

• Compound Name: 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile
• PubChem CID: 71628541
• Molecular Formula: C18H18N4O
• Molecular Weight: 306.37 g/mol
• Exact Mass: 306.15
• IUPAC Name: 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile
• SMILES: CC1NNC2OC(N)=C(C#N)C(c3ccc4ccccc4c3)C12
• InChI: InChI=1S/C18H18N4O/c1-10-15-16(14(9-19)17(20)23-18(15)22-21-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,15-16,18,21-22H,20H2,1H3
• InChIKey: XBZDVWHLTZEDLJ-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 83.10 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 1
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.37
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile?

The IUPAC name of 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 71628541) is 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile.

What is the SMILES notation for 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile?

The canonical SMILES for 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile is CC1NNC2OC(N)=C(C#N)C(c3ccc4ccccc4c3)C12.

What is the InChIKey of 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile?

The InChIKey is XBZDVWHLTZEDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O/c1-10-15-16(14(9-19)17(20)23-18(15)22-21-10)13-7-6-11-4-2-3-5-12(11)8-13/h2-8,10,15-16,18,21-22H,20H2,1H3.

What are the key properties of 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile?

6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 306.37 g/mol, XLogP of 2.09, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-methyl-4-naphthalen-2-yl-1,2,3,3a,4,7a-hexahydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 71628541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).