6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H15N5O — CID 2866118

IUPAC6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O/c1-2-3-11-13-12(9-4-6-18-7-5-9)10(8-16)14(17)21-15(13)20-19-11/h4-7,12H,2-3,17H2,1H3,(H,19,20)
InChIKeyZAWHBVFQCAKSTI-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.98
Rot. Bonds3

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

6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2866118) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2866118
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC Name6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O/c1-2-3-11-13-12(9-4-6-18-7-5-9)10(8-16)14(17)21-15(13)20-19-11/h4-7,12H,2-3,17H2,1H3,(H,19,20)
InChIKeyZAWHBVFQCAKSTI-UHFFFAOYSA-N
XLogP1.98
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2866118) is 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1ccncc1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is ZAWHBVFQCAKSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O/c1-2-3-11-13-12(9-4-6-18-7-5-9)10(8-16)14(17)21-15(13)20-19-11/h4-7,12H,2-3,17H2,1H3,(H,19,20).
What are the key properties of 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 281.32 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-propyl-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2866118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).