2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide

C10H13N5O — CID 166473842

IUPAC2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cn[nH]c2)nc1C
InChIInChI=1S/C10H13N5O/c1-7-5-15(14-8(7)2)6-10(16)13-9-3-11-12-4-9/h3-5H,6H2,1-2H3,(H,11,12)(H,13,16)
InChIKeyDGGDOBGRZUNXRP-UHFFFAOYSA-N
MW219.25 g/mol
LogP0.86
Rot. Bonds3

About 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide

2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide (PubChem CID 166473842) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
PubChem CID166473842
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide
SMILESCc1cn(CC(=O)Nc2cn[nH]c2)nc1C
InChIInChI=1S/C10H13N5O/c1-7-5-15(14-8(7)2)6-10(16)13-9-3-11-12-4-9/h3-5H,6H2,1-2H3,(H,11,12)(H,13,16)
InChIKeyDGGDOBGRZUNXRP-UHFFFAOYSA-N
XLogP0.86
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide (CID 166473842) is 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide is Cc1cn(CC(=O)Nc2cn[nH]c2)nc1C.
What is the InChIKey of 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
The InChIKey is DGGDOBGRZUNXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c1-7-5-15(14-8(7)2)6-10(16)13-9-3-11-12-4-9/h3-5H,6H2,1-2H3,(H,11,12)(H,13,16).
What are the key properties of 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide?
2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide has a molecular weight of 219.25 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylpyrazol-1-yl)-N-(1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 166473842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).