2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide

C10H17N3O — CID 63000333

IUPAC2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)12-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyRKJSRSICAIAMGR-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.06
Rot. Bonds3

About 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide

2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide (PubChem CID 63000333) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
PubChem CID63000333
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cnn(C(C)C)c1
InChIInChI=1S/C10H17N3O/c1-7(2)10(14)12-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14)
InChIKeyRKJSRSICAIAMGR-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide (CID 63000333) is 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide is CC(C)C(=O)Nc1cnn(C(C)C)c1.
What is the InChIKey of 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
The InChIKey is RKJSRSICAIAMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)10(14)12-9-5-11-13(6-9)8(3)4/h5-8H,1-4H3,(H,12,14).
What are the key properties of 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide?
2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide has a molecular weight of 195.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide is sourced from PubChem (CID 63000333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).