6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H15N5O4 — CID 2910027

IUPAC6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O4/c1-15(2,3)12-11-10(8-4-5-9(23-8)20(21)22)7(6-16)13(17)24-14(11)19-18-12/h4-5,10H,17H2,1-3H3,(H,18,19)
InChIKeyNWWAJDMVOTZHAC-UHFFFAOYSA-N
MW329.32 g/mol
LogP2.43
Rot. Bonds2

About 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2910027) has the molecular formula C15H15N5O4 and a molecular weight of 329.32 g/mol. Its IUPAC name is 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2910027
Molecular FormulaC15H15N5O4
Molecular Weight329.32 g/mol
Exact Mass329.11
IUPAC Name6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCC(C)(C)c1[nH]nc2c1C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2
InChIInChI=1S/C15H15N5O4/c1-15(2,3)12-11-10(8-4-5-9(23-8)20(21)22)7(6-16)13(17)24-14(11)19-18-12/h4-5,10H,17H2,1-3H3,(H,18,19)
InChIKeyNWWAJDMVOTZHAC-UHFFFAOYSA-N
XLogP2.43
TPSA144.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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-3-methyl-4-(5-(p-tolyl)furan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3737081
6-Amino-3-(3-methoxyphenyl)-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4979266
6-Amino-4-(5-methyl-2-furyl)-3-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2908739
6-Amino-3-methyl-4-(5-phenyl-2-furyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 4271961
6-Amino-4-(2-furanyl)-3-propan-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2961870
6-Amino-3-tert-butyl-4-(furan-2-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3155442
6-Amino-3-methyl-4-(5-methylfuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 2879464
6-Amino-3-ethyl-4-(5-methyl-2-furyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3156358
6-Amino-4-(2-furyl)-3-(trifluoromethyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3882909
5-amino-3-(1-cyano-2-(5-(3-nitrophenyl)furan-2-yl)vinyl)-1H-pyrazole-4-carbonitrile
CID 5291130

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2910027) is 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CC(C)(C)c1[nH]nc2c1C(c1ccc([N+](=O)[O-])o1)C(C#N)=C(N)O2.
What is the InChIKey of 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is NWWAJDMVOTZHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O4/c1-15(2,3)12-11-10(8-4-5-9(23-8)20(21)22)7(6-16)13(17)24-14(11)19-18-12/h4-5,10H,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 329.32 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-tert-butyl-4-(5-nitrofuran-2-yl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2910027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).