5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid

C20H21N3O4 — CID 120690714

IUPAC5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1C1CC1
InChIInChI=1S/C20H21N3O4/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(24)22-14-5-6-16-13(7-14)8-17(27-16)20(25)26/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyZSNPBOLZGKZFSE-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.11
Rot. Bonds6

About 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid

5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid (PubChem CID 120690714) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
PubChem CID120690714
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
SMILESCC(C)Cn1ncc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1C1CC1
InChIInChI=1S/C20H21N3O4/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(24)22-14-5-6-16-13(7-14)8-17(27-16)20(25)26/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,25,26)
InChIKeyZSNPBOLZGKZFSE-UHFFFAOYSA-N
XLogP4.11
TPSA97.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid with MolForge

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Related Compounds

2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109666
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 120522827
2-[2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526692
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226
5-[(2-carboxy-1-benzofuran-5-yl)carbamoylamino]-1-benzofuran-2-carboxylic acid
CID 71013533
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
CID 120534713
1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545060
5-[(2-methoxybenzoyl)amino]-1-benzofuran-2-carboxylic acid
CID 146091403
5-(cyclobutanecarbonylamino)-1-benzofuran-2-carboxylic acid
CID 120690709
5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
CID 138004235
5-[(2-cyclopentyloxyacetyl)amino]-1-benzofuran-2-carboxylic acid
CID 120690697
5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 138035250

Frequently Asked Questions

What is the IUPAC name of 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid?
The IUPAC name of 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid (CID 120690714) is 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid is CC(C)Cn1ncc(C(=O)Nc2ccc3oc(C(=O)O)cc3c2)c1C1CC1.
What is the InChIKey of 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid?
The InChIKey is ZSNPBOLZGKZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-11(2)10-23-18(12-3-4-12)15(9-21-23)19(24)22-14-5-6-16-13(7-14)8-17(27-16)20(25)26/h5-9,11-12H,3-4,10H2,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid?
5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid has a molecular weight of 367.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 120690714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).