N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide

C10H17N3O — CID 103860973

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1c(CNC(=O)C(C)C)cnn1C
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)11-5-9-6-12-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeySQGBBNBBRATYNA-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.00
Rot. Bonds3

About N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide (PubChem CID 103860973) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide
PubChem CID103860973
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide
SMILESCc1c(CNC(=O)C(C)C)cnn1C
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)11-5-9-6-12-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,11,14)
InChIKeySQGBBNBBRATYNA-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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Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide (CID 103860973) is N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide is Cc1c(CNC(=O)C(C)C)cnn1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide?
The InChIKey is SQGBBNBBRATYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10(14)11-5-9-6-12-13(4)8(9)3/h6-7H,5H2,1-4H3,(H,11,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide?
N-[(1,5-dimethylpyrazol-4-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-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropanamide is sourced from PubChem (CID 103860973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).