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

C18H13ClN4O2 — CID 3158963

IUPAC6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-6-5-13(24-14)10-3-2-4-11(19)7-10/h2-7,16H,21H2,1H3,(H,22,23)
InChIKeyRWTIUDVCBQDVDM-UHFFFAOYSA-N
MW352.78 g/mol
LogP3.85
Rot. Bonds2

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

6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3158963) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3158963
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3)o1)C(C#N)=C(N)O2
InChIInChI=1S/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-6-5-13(24-14)10-3-2-4-11(19)7-10/h2-7,16H,21H2,1H3,(H,22,23)
InChIKeyRWTIUDVCBQDVDM-UHFFFAOYSA-N
XLogP3.85
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4S)-6-amino-4-[5-(2-cyanophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 788499
6-amino-4-[5-(2-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile;ethanol
CID 126476362
(4S)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-ethyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006238
(4R)-6-amino-4-[5-(4-chlorophenyl)furan-2-yl]-3-(4-methoxyphenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006246
6-amino-4-[5-[(3-bromophenoxy)methyl]furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4188506
(4S)-6-amino-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 677573
[5-(6-amino-5-cyano-3-methyl-2,4-dihydropyrano[2,3-c]pyrazol-4-yl)furan-2-yl]methyl acetate
CID 171985987
(4S)-6-amino-3-(4-chlorophenyl)-4-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 51618554
(4S)-6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1006241
6-amino-3-ethyl-4-[5-(4-fluorophenyl)furan-2-yl]-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156221
(4S)-6-amino-4-(3-iodophenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 1034721
(4R)-6-amino-4-(3-hydroxyphenyl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 675917

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3158963) is 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1[nH]nc2c1C(c1ccc(-c3cccc(Cl)c3)o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is RWTIUDVCBQDVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-9-15-16(12(8-20)17(21)25-18(15)23-22-9)14-6-5-13(24-14)10-3-2-4-11(19)7-10/h2-7,16H,21H2,1H3,(H,22,23).
What are the key properties of 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 352.78 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-[5-(3-chlorophenyl)furan-2-yl]-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3158963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).