5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide

C16H16N4O2 — CID 4192875

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3)o2)n1
InChIInChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)10-14-5-6-15(22-14)16(21)18-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyQIUMHAFLWOYPKA-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.79
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide

5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide (PubChem CID 4192875) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide
PubChem CID4192875
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3)o2)n1
InChIInChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)10-14-5-6-15(22-14)16(21)18-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21)
InChIKeyQIUMHAFLWOYPKA-UHFFFAOYSA-N
XLogP2.79
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide (CID 4192875) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3)o2)n1.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
The InChIKey is QIUMHAFLWOYPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-8-12(2)20(19-11)10-14-5-6-15(22-14)16(21)18-13-4-3-7-17-9-13/h3-9H,10H2,1-2H3,(H,18,21).
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-3-ylfuran-2-carboxamide is sourced from PubChem (CID 4192875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).