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

C18H14N4O3 — CID 3969561

IUPAC6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C18H14N4O3/c1-23-12-4-2-3-10(7-12)16-15-14(11-5-6-24-9-11)13(8-19)17(20)25-18(15)22-21-16/h2-7,9,14H,20H2,1H3,(H,21,22)
InChIKeyBFSGOLWAUQDRDV-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.90
Rot. Bonds3

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

6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3969561) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3969561
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCOc1cccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)c1
InChIInChI=1S/C18H14N4O3/c1-23-12-4-2-3-10(7-12)16-15-14(11-5-6-24-9-11)13(8-19)17(20)25-18(15)22-21-16/h2-7,9,14H,20H2,1H3,(H,21,22)
InChIKeyBFSGOLWAUQDRDV-UHFFFAOYSA-N
XLogP2.90
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-4-(furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3128137
6-Amino-4-[5-(2-cyanophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-C]pyrazole-5-carbonitrile
CID 650594
4-(6-Amino-5-cyano-3-methyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
CID 565752
6-Amino-4-(3-furyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
4-(6-Amino-5-cyano-3-propyl-1,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl 2-furoate
CID 2908286
4-{6-Amino-3-tert-butyl-5-cyano-1H,4H-pyrano[2,3-C]pyrazol-4-YL}phenyl furan-2-carboxylate
CID 3240319
2-Furancarboxylic acid [4-(6-amino-5-cyano-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)phenyl] ester
CID 3243771
6-Amino-3-methyl-4-(5-(p-tolyl)furan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3737081
6-Amino-4-(5-(4-methoxyphenyl)furan-2-yl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3829864
6-Amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4979266
6-amino-4-[(E)-2-(2-furyl)-1-methylvinyl]-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 5291857
6-Amino-4-(5-methyl-2-furyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908739

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3969561) is 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is COc1cccc(-c2[nH]nc3c2C(c2ccoc2)C(C#N)=C(N)O3)c1.
What is the InChIKey of 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is BFSGOLWAUQDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-23-12-4-2-3-10(7-12)16-15-14(11-5-6-24-9-11)13(8-19)17(20)25-18(15)22-21-16/h2-7,9,14H,20H2,1H3,(H,21,22).
What are the key properties of 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 334.34 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(furan-3-yl)-3-(3-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3969561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).