N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

C16H15N3O2 — CID 20918213

IUPACN-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H15N3O2/c1-19(11-12-6-3-2-4-7-12)16(20)14-10-13(17-18-14)15-8-5-9-21-15/h2-10H,11H2,1H3,(H,17,18)
InChIKeyGWAWWYMESWDZLS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.94
Rot. Bonds4

About N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide

N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (PubChem CID 20918213) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
PubChem CID20918213
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C16H15N3O2/c1-19(11-12-6-3-2-4-7-12)16(20)14-10-13(17-18-14)15-8-5-9-21-15/h2-10H,11H2,1H3,(H,17,18)
InChIKeyGWAWWYMESWDZLS-UHFFFAOYSA-N
XLogP2.94
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide (CID 20918213) is N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is CN(Cc1ccccc1)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
The InChIKey is GWAWWYMESWDZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-19(11-12-6-3-2-4-7-12)16(20)14-10-13(17-18-14)15-8-5-9-21-15/h2-10H,11H2,1H3,(H,17,18).
What are the key properties of N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide?
N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(furan-2-yl)-N-methyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 20918213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).