2-methyl-N-(1H-pyrazol-4-yl)propanamide

C7H11N3O — CID 20784752

IUPAC2-methyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(2)7(11)10-6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyZDNKEDNHCHWVLQ-UHFFFAOYSA-N
MW153.19 g/mol
LogP1.00
Rot. Bonds2

About 2-methyl-N-(1H-pyrazol-4-yl)propanamide

2-methyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 20784752) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 2-methyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID20784752
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name2-methyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C7H11N3O/c1-5(2)7(11)10-6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11)
InChIKeyZDNKEDNHCHWVLQ-UHFFFAOYSA-N
XLogP1.00
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-(1H-pyrazol-4-yl)propanamide (CID 20784752) is 2-methyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-(1H-pyrazol-4-yl)propanamide is CC(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2-methyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is ZDNKEDNHCHWVLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)7(11)10-6-3-8-9-4-6/h3-5H,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-methyl-N-(1H-pyrazol-4-yl)propanamide?
2-methyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 153.19 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20784752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).