2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

C11H14N4O2 — CID 62522791

IUPAC2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(N)n2)o1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)6-13-11(16)7-15-5-4-10(12)14-15/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyKTBIZNTXQKSNBK-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.68
Rot. Bonds4

About 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide

2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 62522791) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID62522791
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)Cn2ccc(N)n2)o1
InChIInChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)6-13-11(16)7-15-5-4-10(12)14-15/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,16)
InChIKeyKTBIZNTXQKSNBK-UHFFFAOYSA-N
XLogP0.68
TPSA86.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-methyl-N-[(5-methylfuran-2-yl)methyl]butanamide
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2-(3-aminopyrazol-1-yl)-N-[(1-ethylpiperidin-4-yl)methyl]acetamide
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CID 60783220
2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
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2-(3-aminopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
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CID 55258861

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 62522791) is 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)Cn2ccc(N)n2)o1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is KTBIZNTXQKSNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-8-2-3-9(17-8)6-13-11(16)7-15-5-4-10(12)14-15/h2-5H,6-7H2,1H3,(H2,12,14)(H,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 234.26 g/mol, XLogP of 0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 62522791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).