3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

C15H15N3O2 — CID 35337998

IUPAC3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cnn(C)c2)oc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10-12-5-3-4-6-13(12)20-14(10)15(19)16-7-11-8-17-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyRYOGMMFNBLSJNV-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.40
Rot. Bonds3

About 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide

3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 35337998) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID35337998
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)NCc2cnn(C)c2)oc2ccccc12
InChIInChI=1S/C15H15N3O2/c1-10-12-5-3-4-6-13(12)20-14(10)15(19)16-7-11-8-17-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,16,19)
InChIKeyRYOGMMFNBLSJNV-UHFFFAOYSA-N
XLogP2.40
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(1-methylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111603060
N-[[2-(hydroxymethyl)phenyl]methyl]-3-methyl-1-benzofuran-2-carboxamide
CID 110902400
5-bromo-N-[(1-methylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 39891817
1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19474553
3-methyl-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914294
3-methyl-N-(3-methylbutyl)-1-benzofuran-2-carboxamide
CID 51172700
N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 110461051
N-[(1-methylpyrazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 35524940
2-methoxy-3-[(3-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 106108095
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761
N-[(1-methylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 35523459
4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid
CID 43239246

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide (CID 35337998) is 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)NCc2cnn(C)c2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RYOGMMFNBLSJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-10-12-5-3-4-6-13(12)20-14(10)15(19)16-7-11-8-17-18(2)9-11/h3-6,8-9H,7H2,1-2H3,(H,16,19).
What are the key properties of 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 269.30 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 35337998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).