6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C17H18N4O3 — CID 3141759

IUPAC6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1cc(OC)ccc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O3/c1-4-12-15-14(10-7-9(22-2)5-6-13(10)23-3)11(8-18)16(19)24-17(15)21-20-12/h5-7,14H,4,19H2,1-3H3,(H,20,21)
InChIKeyAXFHMAWMXYZDMM-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.21
Rot. Bonds4

About 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3141759) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3141759
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCc1[nH]nc2c1C(c1cc(OC)ccc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C17H18N4O3/c1-4-12-15-14(10-7-9(22-2)5-6-13(10)23-3)11(8-18)16(19)24-17(15)21-20-12/h5-7,14H,4,19H2,1-3H3,(H,20,21)
InChIKeyAXFHMAWMXYZDMM-UHFFFAOYSA-N
XLogP2.21
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3141759) is 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCc1[nH]nc2c1C(c1cc(OC)ccc1OC)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is AXFHMAWMXYZDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-4-12-15-14(10-7-9(22-2)5-6-13(10)23-3)11(8-18)16(19)24-17(15)21-20-12/h5-7,14H,4,19H2,1-3H3,(H,20,21).
What are the key properties of 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(2,5-dimethoxyphenyl)-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3141759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).