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

C16H16N4O3 — CID 647912

IUPAC6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C16H16N4O3/c1-21-8-11-14-13(9-5-3-4-6-12(9)22-2)10(7-17)15(18)23-16(14)20-19-11/h3-6,13H,8,18H2,1-2H3,(H,19,20)
InChIKeyNSVUTDRGIZQVRW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.78
Rot. Bonds4

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

6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 647912) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID647912
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2
InChIInChI=1S/C16H16N4O3/c1-21-8-11-14-13(9-5-3-4-6-12(9)22-2)10(7-17)15(18)23-16(14)20-19-11/h3-6,13H,8,18H2,1-2H3,(H,19,20)
InChIKeyNSVUTDRGIZQVRW-UHFFFAOYSA-N
XLogP1.78
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 647912) is 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COCc1[nH]nc2c1C(c1ccccc1OC)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NSVUTDRGIZQVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-21-8-11-14-13(9-5-3-4-6-12(9)22-2)10(7-17)15(18)23-16(14)20-19-11/h3-6,13H,8,18H2,1-2H3,(H,19,20).
What are the key properties of 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 312.33 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(methoxymethyl)-4-(2-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 647912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).