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

C9H15N3O — CID 60755259

IUPAC2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZEERPWNBBMGSSZ-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.07
Rot. Bonds2

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

2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide (PubChem CID 60755259) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide
PubChem CID60755259
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide
SMILESCC(C)(C)C(=O)NCc1cn[nH]c1
InChIInChI=1S/C9H15N3O/c1-9(2,3)8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12)
InChIKeyZEERPWNBBMGSSZ-UHFFFAOYSA-N
XLogP1.07
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 13450481
N-((1H-pyrazol-4-yl)methyl)acetamide
CID 60756752
N-ethyl-1H-pyrazole-4-carboxamide
CID 43582334
4-(Boc-aminomethyl)pyrazole
CID 47003356
(1H-Pyrazol-4-yl)(pyrrolidin-1-yl)methanone
CID 43582286
N-Methyl-1H-pyrazole-4-carboxamide
CID 43582329
N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 43582804
N-(fluoromethyl)-1H-pyrazole-4-carboxamide
CID 124107831
2-fluoro-N-(1H-pyrazol-4-ylmethyl)prop-2-enamide
CID 176960189
N-butyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876873
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 54876945
N-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 60891031

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide (CID 60755259) is 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide is CC(C)(C)C(=O)NCc1cn[nH]c1.
What is the InChIKey of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
The InChIKey is ZEERPWNBBMGSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)8(13)10-4-7-5-11-12-6-7/h5-6H,4H2,1-3H3,(H,10,13)(H,11,12).
What are the key properties of 2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide?
2,2-dimethyl-N-(1H-pyrazol-4-ylmethyl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 1.07, 2 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-ylmethyl)propanamide is sourced from PubChem (CID 60755259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).