2-methyl-2-(3-methylpyrazol-1-yl)propanamide

C8H13N3O — CID 135157741

IUPAC2-methyl-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)(C)C(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-6-4-5-11(10-6)8(2,3)7(9)12/h4-5H,1-3H3,(H2,9,12)
InChIKeyFEIBACIYNXPQTG-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.41
Rot. Bonds2

About 2-methyl-2-(3-methylpyrazol-1-yl)propanamide

2-methyl-2-(3-methylpyrazol-1-yl)propanamide (PubChem CID 135157741) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-2-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound Name2-methyl-2-(3-methylpyrazol-1-yl)propanamide
PubChem CID135157741
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-2-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(C(C)(C)C(N)=O)n1
InChIInChI=1S/C8H13N3O/c1-6-4-5-11(10-6)8(2,3)7(9)12/h4-5H,1-3H3,(H2,9,12)
InChIKeyFEIBACIYNXPQTG-UHFFFAOYSA-N
XLogP0.41
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of 2-methyl-2-(3-methylpyrazol-1-yl)propanamide (CID 135157741) is 2-methyl-2-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for 2-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for 2-methyl-2-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(C(C)(C)C(N)=O)n1.
What is the InChIKey of 2-methyl-2-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is FEIBACIYNXPQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-4-5-11(10-6)8(2,3)7(9)12/h4-5H,1-3H3,(H2,9,12).
What are the key properties of 2-methyl-2-(3-methylpyrazol-1-yl)propanamide?
2-methyl-2-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 135157741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).