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

C13H12N4O2 — CID 682981

IUPAC(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)o1
InChIInChI=1S/C13H12N4O2/c1-6-3-4-9(18-6)11-8(5-14)12(15)19-13-10(11)7(2)16-17-13/h3-4,11H,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLPBLQFLPCJJWIK-NSHDSACASA-N
MW256.26 g/mol
LogP1.84
Rot. Bonds1

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

(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 682981) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID682981
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)o1
InChIInChI=1S/C13H12N4O2/c1-6-3-4-9(18-6)11-8(5-14)12(15)19-13-10(11)7(2)16-17-13/h3-4,11H,15H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyLPBLQFLPCJJWIK-NSHDSACASA-N
XLogP1.84
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 682981) is (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)o1.
What is the InChIKey of (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is LPBLQFLPCJJWIK-NSHDSACASA-N. The full InChI is InChI=1S/C13H12N4O2/c1-6-3-4-9(18-6)11-8(5-14)12(15)19-13-10(11)7(2)16-17-13/h3-4,11H,15H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 256.26 g/mol, XLogP of 1.84, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 682981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).