2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide

C7H12N4O — CID 47003138

IUPAC2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H12N4O/c1-10(2)7(12)5-11-4-3-6(8)9-11/h3-4H,5H2,1-2H3,(H2,8,9)
InChIKeyRMGGQGYJERSBJF-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.45
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide

2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide (PubChem CID 47003138) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide
PubChem CID47003138
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC Name2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cn1ccc(N)n1
InChIInChI=1S/C7H12N4O/c1-10(2)7(12)5-11-4-3-6(8)9-11/h3-4H,5H2,1-2H3,(H2,8,9)
InChIKeyRMGGQGYJERSBJF-UHFFFAOYSA-N
XLogP-0.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide (CID 47003138) is 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide is CN(C)C(=O)Cn1ccc(N)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide?
The InChIKey is RMGGQGYJERSBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-10(2)7(12)5-11-4-3-6(8)9-11/h3-4H,5H2,1-2H3,(H2,8,9).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide?
2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide has a molecular weight of 168.20 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N,N-dimethylacetamide is sourced from PubChem (CID 47003138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).