N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide

C10H17N3O — CID 2818790

IUPACN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7-6-8(13(5)12-7)11-9(14)10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyBBGAMWFIEHDYMO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.71
Rot. Bonds1

About N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide

N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide (PubChem CID 2818790) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide
PubChem CID2818790
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide
SMILESCc1cc(NC(=O)C(C)(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7-6-8(13(5)12-7)11-9(14)10(2,3)4/h6H,1-5H3,(H,11,14)
InChIKeyBBGAMWFIEHDYMO-UHFFFAOYSA-N
XLogP1.71
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide (CID 2818790) is N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide is Cc1cc(NC(=O)C(C)(C)C)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide?
The InChIKey is BBGAMWFIEHDYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7-6-8(13(5)12-7)11-9(14)10(2,3)4/h6H,1-5H3,(H,11,14).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide?
N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2,2-dimethylpropanamide is sourced from PubChem (CID 2818790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).