N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide

C17H18N4O3 — CID 121059728

IUPACN-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)n(C(C)C)n1
InChIInChI=1S/C17H18N4O3/c1-9(2)21-12(8-10(3)20-21)17(23)19-14-11-6-4-5-7-13(11)24-15(14)16(18)22/h4-9H,1-3H3,(H2,18,22)(H,19,23)
InChIKeyMURVPKFCMBQRHL-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.87
Rot. Bonds4

About N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide

N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 121059728) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID121059728
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)n(C(C)C)n1
InChIInChI=1S/C17H18N4O3/c1-9(2)21-12(8-10(3)20-21)17(23)19-14-11-6-4-5-7-13(11)24-15(14)16(18)22/h4-9H,1-3H3,(H2,18,22)(H,19,23)
InChIKeyMURVPKFCMBQRHL-UHFFFAOYSA-N
XLogP2.87
TPSA103.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[4-(2-methylpropanoylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 167790473
3-[[2-(4-propan-2-ylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 41362468
3-[(2-methylsulfanylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7266821
3-[[2-(4-propan-2-ylsulfonylphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16837991
3-(pentanoylamino)-1-benzofuran-2-carboxamide
CID 7385691
3-[[2-(4-methylphenyl)sulfonylacetyl]amino]-1-benzofuran-2-carboxamide
CID 43980597
3-[(4-chlorobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 587379
3-[[4-(dimethylamino)benzoyl]amino]-1-benzofuran-2-carboxamide
CID 5051440
3-[(4-methyl-3-nitrobenzoyl)amino]-1-benzofuran-2-carboxamide
CID 7385755
3-[[2-(4-fluorophenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7385792
3-[[2-(2-methoxyphenyl)acetyl]amino]-1-benzofuran-2-carboxamide
CID 17409565
3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]-1-benzofuran-2-carboxamide
CID 3656399

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide (CID 121059728) is N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)n(C(C)C)n1.
What is the InChIKey of N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is MURVPKFCMBQRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-9(2)21-12(8-10(3)20-21)17(23)19-14-11-6-4-5-7-13(11)24-15(14)16(18)22/h4-9H,1-3H3,(H2,18,22)(H,19,23).
What are the key properties of N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide?
N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-1-benzofuran-3-yl)-5-methyl-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 121059728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).