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

C19H23N5O2 — CID 3805517

IUPAC6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCN(CC)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1
InChIInChI=1S/C19H23N5O2/c1-4-24(5-2)13-8-6-12(7-9-13)16-14(10-20)18(21)26-19-17(16)15(11-25-3)22-23-19/h6-9,16H,4-5,11,21H2,1-3H3,(H,22,23)
InChIKeyIFUAAOVJKBMHIY-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.62
Rot. Bonds6

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

6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3805517) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3805517
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCN(CC)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1
InChIInChI=1S/C19H23N5O2/c1-4-24(5-2)13-8-6-12(7-9-13)16-14(10-20)18(21)26-19-17(16)15(11-25-3)22-23-19/h6-9,16H,4-5,11,21H2,1-3H3,(H,22,23)
InChIKeyIFUAAOVJKBMHIY-UHFFFAOYSA-N
XLogP2.62
TPSA100.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3805517) is 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCN(CC)c1ccc(C2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1.
What is the InChIKey of 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IFUAAOVJKBMHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-4-24(5-2)13-8-6-12(7-9-13)16-14(10-20)18(21)26-19-17(16)15(11-25-3)22-23-19/h6-9,16H,4-5,11,21H2,1-3H3,(H,22,23).
What are the key properties of 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 353.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3805517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).