2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

C9H12N6O — CID 63819555

IUPAC2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(N)n2)n[nH]1
InChIInChI=1S/C9H12N6O/c1-6-4-8(13-12-6)11-9(16)5-15-3-2-7(10)14-15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,12,13,16)
InChIKeyKJHHWDMHVFUFDK-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.14
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide

2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (PubChem CID 63819555) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
PubChem CID63819555
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2ccc(N)n2)n[nH]1
InChIInChI=1S/C9H12N6O/c1-6-4-8(13-12-6)11-9(16)5-15-3-2-7(10)14-15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,12,13,16)
InChIKeyKJHHWDMHVFUFDK-UHFFFAOYSA-N
XLogP0.14
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide (CID 63819555) is 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2ccc(N)n2)n[nH]1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is KJHHWDMHVFUFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-6-4-8(13-12-6)11-9(16)5-15-3-2-7(10)14-15/h2-4H,5H2,1H3,(H2,10,14)(H2,11,12,13,16).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 220.24 g/mol, XLogP of 0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 63819555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).