1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate

C19H18N4O7 — CID 88562022

IUPAC1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate
SMILESCCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccc1N=O)nn2C(=O)OCC
InChIInChI=1S/C19H18N4O7/c1-3-9-29-18(25)14-10-13-15(30-14)16(21-23(13)19(26)28-4-2)20-17(24)11-7-5-6-8-12(11)22-27/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,24)
InChIKeyIICXITIDJLVWJX-UHFFFAOYSA-N
MW414.37 g/mol
LogP3.85
Rot. Bonds7

About 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate

1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate (PubChem CID 88562022) has the molecular formula C19H18N4O7 and a molecular weight of 414.37 g/mol. Its IUPAC name is 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate
PubChem CID88562022
Molecular FormulaC19H18N4O7
Molecular Weight414.37 g/mol
Exact Mass414.12
IUPAC Name1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate
SMILESCCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccc1N=O)nn2C(=O)OCC
InChIInChI=1S/C19H18N4O7/c1-3-9-29-18(25)14-10-13-15(30-14)16(21-23(13)19(26)28-4-2)20-17(24)11-7-5-6-8-12(11)22-27/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,24)
InChIKeyIICXITIDJLVWJX-UHFFFAOYSA-N
XLogP3.85
TPSA142.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.37
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

propyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030550
pentyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030763
hexyl 3-[[2-[(2-methylpyrazole-3-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030446
benzyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67031005
3-[(2-fluorobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
CID 90955262
methyl 3-[[2-[(1-methylpyrrole-2-carbonyl)amino]benzoyl]amino]-5-(2-phenylpropan-2-ylcarbamoyl)furo[3,2-c]pyrazole-1-carboxylate
CID 67030586
tert-butyl 5-(2-phenylpropan-2-ylcarbamoyl)-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]furo[3,2-c]pyrazole-1-carboxylate
CID 67030965
diethylamino 2-nitrosobenzoate
CID 134930377
propyl 2-methylbenzoate
CID 23432654
[2-[[1-ethoxycarbonyl-5-(2-phenylpropan-2-ylcarbamoyl)thieno[3,2-d]pyrazol-3-yl]carbamoyl]phenyl]-hydroxyazanium
CID 143395536
3-[(2-methylpyrazole-3-carbonyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylic acid
CID 91584588
propyl 2-(methyliminomethyl)benzoate
CID 145402515

Frequently Asked Questions

What is the IUPAC name of 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate?
The IUPAC name of 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate (CID 88562022) is 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate.
What is the SMILES notation for 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate?
The canonical SMILES for 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate is CCCOC(=O)c1cc2c(o1)c(NC(=O)c1ccccc1N=O)nn2C(=O)OCC.
What is the InChIKey of 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate?
The InChIKey is IICXITIDJLVWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O7/c1-3-9-29-18(25)14-10-13-15(30-14)16(21-23(13)19(26)28-4-2)20-17(24)11-7-5-6-8-12(11)22-27/h5-8,10H,3-4,9H2,1-2H3,(H,20,21,24).
What are the key properties of 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate?
1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate has a molecular weight of 414.37 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-ethyl 5-O-propyl 3-[(2-nitrosobenzoyl)amino]furo[3,2-c]pyrazole-1,5-dicarboxylate is sourced from PubChem (CID 88562022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).