1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide

C18H19N3O2 — CID 29221167

IUPAC1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)o1
InChIInChI=1S/C18H19N3O2/c1-14-8-9-17(23-14)13-20(2)18(22)16-10-19-21(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3
InChIKeySAAPRXUFSFGJHK-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.11
Rot. Bonds5

About 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide

1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 29221167) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID29221167
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)o1
InChIInChI=1S/C18H19N3O2/c1-14-8-9-17(23-14)13-20(2)18(22)16-10-19-21(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3
InChIKeySAAPRXUFSFGJHK-UHFFFAOYSA-N
XLogP3.11
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-ethyl-N-methylpyrazole-4-carboxamide
CID 86926836
1-benzyl-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazole-4-carboxamide
CID 75461031
1-benzyl-N-methyl-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
CID 18117356
1-[(2-chlorophenyl)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazole-4-carboxamide
CID 38077636
1-[(4-chlorophenyl)methyl]-N-methyl-N-[(5-methylfuran-2-yl)methyl]triazole-4-carboxamide
CID 56905401
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-(phenylsulfanylmethyl)benzamide
CID 31151066
2-(3-benzyl-2,4,5-trioxoimidazolidin-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 9072725
N,5-dimethyl-N-[(5-methylfuran-2-yl)methyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 4807520
N-[(1-benzylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
CID 31674136
1-benzylpyrazole-4-carbohydrazide
CID 83386286
N-[(1-benzylpyrazol-4-yl)methyl]-3,4-diethoxy-N-methylbenzamide
CID 31798331
4-carbamothioyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 43519484

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide (CID 29221167) is 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide is Cc1ccc(CN(C)C(=O)c2cnn(Cc3ccccc3)c2)o1.
What is the InChIKey of 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is SAAPRXUFSFGJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-14-8-9-17(23-14)13-20(2)18(22)16-10-19-21(12-16)11-15-6-4-3-5-7-15/h3-10,12H,11,13H2,1-2H3.
What are the key properties of 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide?
1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 29221167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).