6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H17FN4O2 — CID 660417

IUPAC6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1cc(OC)ccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C17H17FN4O2/c1-3-4-13-15-14(10-7-9(23-2)5-6-12(10)18)11(8-19)16(20)24-17(15)22-21-13/h5-7,14H,3-4,20H2,1-2H3,(H,21,22)
InChIKeyPXAHVWVNRPPMBT-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.73
Rot. Bonds4

About 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 660417) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID660417
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCCc1[nH]nc2c1C(c1cc(OC)ccc1F)C(C#N)=C(N)O2
InChIInChI=1S/C17H17FN4O2/c1-3-4-13-15-14(10-7-9(23-2)5-6-12(10)18)11(8-19)16(20)24-17(15)22-21-13/h5-7,14H,3-4,20H2,1-2H3,(H,21,22)
InChIKeyPXAHVWVNRPPMBT-UHFFFAOYSA-N
XLogP2.73
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 660417) is 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCCc1[nH]nc2c1C(c1cc(OC)ccc1F)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is PXAHVWVNRPPMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-3-4-13-15-14(10-7-9(23-2)5-6-12(10)18)11(8-19)16(20)24-17(15)22-21-13/h5-7,14H,3-4,20H2,1-2H3,(H,21,22).
What are the key properties of 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 328.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2-fluoro-5-methoxyphenyl)-3-propyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 660417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).