N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide

C16H15N3O2 — CID 43052470

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c1-12-9-15(17-16(20)14-7-8-21-11-14)19(18-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyNFKDHUVNFOTSHW-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.09
Rot. Bonds4

About N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide

N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide (PubChem CID 43052470) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide
PubChem CID43052470
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide
SMILESCc1cc(NC(=O)c2ccoc2)n(Cc2ccccc2)n1
InChIInChI=1S/C16H15N3O2/c1-12-9-15(17-16(20)14-7-8-21-11-14)19(18-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,20)
InChIKeyNFKDHUVNFOTSHW-UHFFFAOYSA-N
XLogP3.09
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide (CID 43052470) is N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide is Cc1cc(NC(=O)c2ccoc2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide?
The InChIKey is NFKDHUVNFOTSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-12-9-15(17-16(20)14-7-8-21-11-14)19(18-12)10-13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,17,20).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide?
N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide has a molecular weight of 281.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)furan-3-carboxamide is sourced from PubChem (CID 43052470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).