N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide

C10H17N3O — CID 157037990

IUPACN-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCC(C)Cn1nccc1C
InChIInChI=1S/C10H17N3O/c1-8(6-11-10(3)14)7-13-9(2)4-5-12-13/h4-5,8H,6-7H2,1-3H3,(H,11,14)
InChIKeyOKEILWBMNUSDLY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.96
Rot. Bonds4

About N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide

N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 157037990) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide
PubChem CID157037990
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide
SMILESCC(=O)NCC(C)Cn1nccc1C
InChIInChI=1S/C10H17N3O/c1-8(6-11-10(3)14)7-13-9(2)4-5-12-13/h4-5,8H,6-7H2,1-3H3,(H,11,14)
InChIKeyOKEILWBMNUSDLY-UHFFFAOYSA-N
XLogP0.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide (CID 157037990) is N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide is CC(=O)NCC(C)Cn1nccc1C.
What is the InChIKey of N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is OKEILWBMNUSDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-8(6-11-10(3)14)7-13-9(2)4-5-12-13/h4-5,8H,6-7H2,1-3H3,(H,11,14).
What are the key properties of N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide?
N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 195.27 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(5-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 157037990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).