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

C12H7F3N4O2 — CID 3882909

IUPAC6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2C1c1ccco1
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)9-8-7(6-2-1-3-20-6)5(4-16)10(17)21-11(8)19-18-9/h1-3,7H,17H2,(H,18,19)
InChIKeyDVVWNKCOJNHBPT-UHFFFAOYSA-N
MW296.21 g/mol
LogP2.24
Rot. Bonds1

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

6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3882909) has the molecular formula C12H7F3N4O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3882909
Molecular FormulaC12H7F3N4O2
Molecular Weight296.21 g/mol
Exact Mass296.05
IUPAC Name6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2C1c1ccco1
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)9-8-7(6-2-1-3-20-6)5(4-16)10(17)21-11(8)19-18-9/h1-3,7H,17H2,(H,18,19)
InChIKeyDVVWNKCOJNHBPT-UHFFFAOYSA-N
XLogP2.24
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
6-Amino-4-(3-furyl)-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 645331
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-chlorophenyl)-2-furyl]-3-methyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3770471
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
6-Amino-3-tert-butyl-4-(3-furyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908920
6-Amino-4-(2-furyl)-3-(2-thienyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2944871
6-Amino-3-(4-ethoxy-phenyl)-4-furan-3-yl-1,4-dihydro-pyrano[2,3-c]pyrazole-5-carbonitrile
CID 2945923

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3882909) is 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(C(F)(F)F)c2C1c1ccco1.
What is the InChIKey of 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is DVVWNKCOJNHBPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2/c13-12(14,15)9-8-7(6-2-1-3-20-6)5(4-16)10(17)21-11(8)19-18-9/h1-3,7H,17H2,(H,18,19).
What are the key properties of 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 296.21 g/mol, XLogP of 2.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(furan-2-yl)-3-(trifluoromethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3882909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).