5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

C11H13N3O2 — CID 61022740

IUPAC5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn[nH]c2C)o1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-10(16-7)11(15)12-5-9-6-13-14-8(9)2/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyHUKPUXSGHJNVBT-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.55
Rot. Bonds3

About 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide

5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (PubChem CID 61022740) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
PubChem CID61022740
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide
SMILESCc1ccc(C(=O)NCc2cn[nH]c2C)o1
InChIInChI=1S/C11H13N3O2/c1-7-3-4-10(16-7)11(15)12-5-9-6-13-14-8(9)2/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,14)
InChIKeyHUKPUXSGHJNVBT-UHFFFAOYSA-N
XLogP1.55
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide (CID 61022740) is 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is Cc1ccc(C(=O)NCc2cn[nH]c2C)o1.
What is the InChIKey of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
The InChIKey is HUKPUXSGHJNVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-7-3-4-10(16-7)11(15)12-5-9-6-13-14-8(9)2/h3-4,6H,5H2,1-2H3,(H,12,15)(H,13,14).
What are the key properties of 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide?
5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 61022740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).