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

C19H23N5O2 — CID 1275927

IUPAC(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCN(CC)c1ccc([C@@H]2C(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)/t16-/m1/s1
InChIKeyIFUAAOVJKBMHIY-MRXNPFEDSA-N
MW353.43 g/mol
LogP2.62
Rot. Bonds6

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

(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 1275927) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID1275927
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCN(CC)c1ccc([C@@H]2C(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)/t16-/m1/s1
InChIKeyIFUAAOVJKBMHIY-MRXNPFEDSA-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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Related Compounds

6-amino-4-[4-[6-amino-5-cyano-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazol-4-yl]phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3402751
(4S)-6-amino-3-(methoxymethyl)-4-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 743737
(4R)-6-amino-3-(methoxymethyl)-4-pyridin-4-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 845578
6-amino-3-(methoxymethyl)-4-(4-phenylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5144202
(4R)-6-amino-3-(methoxymethyl)-4-(4-propan-2-yloxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 845382
(4R)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086265
(4S)-6-amino-4-(3,4-diethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1086266
(4S)-6-amino-4-(3,4-dimethoxyphenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 673015
(4S)-6-amino-4-(1,3-benzodioxol-5-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 702326
(4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(4-methylphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1339699
(4S)-6-amino-4-(3-chlorophenyl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 939463
(4R)-6-amino-3-ethyl-4-(4-hydroxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 672938

Frequently Asked Questions

What is the IUPAC name of (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 1275927) is (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCN(CC)c1ccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(COC)c32)cc1.
What is the InChIKey of (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is IFUAAOVJKBMHIY-MRXNPFEDSA-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)/t16-/m1/s1.
What are the key properties of (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
(4R)-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 (4R)-6-amino-4-[4-(diethylamino)phenyl]-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 1275927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).