6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C18H20N4O — CID 2881395

IUPAC6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C18H20N4O/c1-3-7-11(2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,20H2,1-2H3,(H,21,22)
InChIKeyQHLXGBMYFXBSJF-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.68
Rot. Bonds4

About 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2881395) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2881395
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21
InChIInChI=1S/C18H20N4O/c1-3-7-11(2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,20H2,1-2H3,(H,21,22)
InChIKeyQHLXGBMYFXBSJF-UHFFFAOYSA-N
XLogP3.68
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2881395) is 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCC(C)C1C(C#N)=C(N)Oc2n[nH]c(-c3ccccc3)c21.
What is the InChIKey of 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is QHLXGBMYFXBSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-3-7-11(2)14-13(10-19)17(20)23-18-15(14)16(21-22-18)12-8-5-4-6-9-12/h4-6,8-9,11,14H,3,7,20H2,1-2H3,(H,21,22).
What are the key properties of 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 308.38 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-pentan-2-yl-3-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2881395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).