2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide

C8H13N3O — CID 20784714

IUPAC2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(12)11-6-4-9-10-5-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyWXFHEDFZTXXXKE-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.39
Rot. Bonds1

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

2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide (PubChem CID 20784714) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
PubChem CID20784714
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1cn[nH]c1
InChIInChI=1S/C8H13N3O/c1-8(2,3)7(12)11-6-4-9-10-5-6/h4-5H,1-3H3,(H,9,10)(H,11,12)
InChIKeyWXFHEDFZTXXXKE-UHFFFAOYSA-N
XLogP1.39
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide (CID 20784714) is 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide is CC(C)(C)C(=O)Nc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
The InChIKey is WXFHEDFZTXXXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-8(2,3)7(12)11-6-4-9-10-5-6/h4-5H,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide?
2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide has a molecular weight of 167.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(1H-pyrazol-4-yl)propanamide is sourced from PubChem (CID 20784714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).