4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

C19H22N4O3 — CID 95747890

IUPAC4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)oc2c1
InChIInChI=1S/C19H22N4O3/c1-10-7-8-13-11(2)17(26-14(13)9-10)18(24)20-15-12(3)23(6)21-16(15)19(25)22(4)5/h7-9H,1-6H3,(H,20,24)
InChIKeyGGKIMJXSGDVKBG-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.05
Rot. Bonds3

About 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide

4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (PubChem CID 95747890) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
PubChem CID95747890
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
SMILESCc1ccc2c(C)c(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)oc2c1
InChIInChI=1S/C19H22N4O3/c1-10-7-8-13-11(2)17(26-14(13)9-10)18(24)20-15-12(3)23(6)21-16(15)19(25)22(4)5/h7-9H,1-6H3,(H,20,24)
InChIKeyGGKIMJXSGDVKBG-UHFFFAOYSA-N
XLogP3.05
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide with MolForge

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Related Compounds

(3,6-dimethyl-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 63639101
4-acetamido-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95748088
4-[(3,5-dichlorobenzoyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95748095
3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-benzofuran-2-carboxamide
CID 2219584
N-[1-(cyanomethyl)pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95754850
4-[[5-(cyclopropanecarbonylamino)-1-methylpyrazole-3-carbonyl]amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide
CID 95747925
N-[5-[(dimethylamino)methyl]-1H-pyrazol-3-yl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 95755232
methyl 4-[(6-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748913
N-methoxy-N,3,6-trimethyl-1-benzofuran-2-carboxamide
CID 58917970
3,6-dimethyl-N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-1-benzofuran-2-carboxamide
CID 70711712
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide
CID 35577324
3,6-dimethyl-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 97145494

Frequently Asked Questions

What is the IUPAC name of 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The IUPAC name of 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide (CID 95747890) is 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is Cc1ccc2c(C)c(C(=O)Nc3c(C(=O)N(C)C)nn(C)c3C)oc2c1.
What is the InChIKey of 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
The InChIKey is GGKIMJXSGDVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-10-7-8-13-11(2)17(26-14(13)9-10)18(24)20-15-12(3)23(6)21-16(15)19(25)22(4)5/h7-9H,1-6H3,(H,20,24).
What are the key properties of 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide?
4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,6-dimethyl-1-benzofuran-2-carbonyl)amino]-N,N,1,5-tetramethylpyrazole-3-carboxamide is sourced from PubChem (CID 95747890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).