N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide

C10H17N3O — CID 131005414

IUPACN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)11-6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeySXVGNIVMWACAHX-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.00
Rot. Bonds3

About N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide

N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide (PubChem CID 131005414) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
PubChem CID131005414
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
SMILESCc1cc(CNC(=O)C(C)C)n(C)n1
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)11-6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14)
InChIKeySXVGNIVMWACAHX-UHFFFAOYSA-N
XLogP1.00
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]propanoic acid
CID 83194398
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 19294406
2-(2,5-dimethylpyrazol-3-yl)-N-propan-2-ylacetamide
CID 110847891
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-methylbenzamide
CID 19294306
3-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-1-[1-(4-methylphenyl)ethyl]urea
CID 138995501
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19294300
2-(2,5-dimethylpyrazol-3-yl)-N-methylacetamide
CID 167145716
(2S)-2-[(2,5-dimethylpyrazol-3-yl)methylamino]-3-methylbutan-1-ol
CID 79249482
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-(4-methyl-1-phenylpyrazol-3-yl)oxypropanamide
CID 110210593
N-[(2,5-dimethylpyrazol-3-yl)methyl]quinoxaline-6-carboxamide
CID 74250263
1-[(2,5-dimethylpyrazol-3-yl)methyl]-2,3-dimethylguanidine
CID 131114979
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19292730

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide (CID 131005414) is N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide is Cc1cc(CNC(=O)C(C)C)n(C)n1.
What is the InChIKey of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
The InChIKey is SXVGNIVMWACAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10(14)11-6-9-5-8(3)12-13(9)4/h5,7H,6H2,1-4H3,(H,11,14).
What are the key properties of N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide?
N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide has a molecular weight of 195.27 g/mol, XLogP of 1.00, 3 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)methyl]-2-methylpropanamide is sourced from PubChem (CID 131005414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).