2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide

C12H21N3O — CID 47986094

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-13-12(16)11(5)15-10(4)6-9(3)14-15/h6,8,11H,7H2,1-5H3,(H,13,16)
InChIKeyHYPIVSSAASHAJQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.83
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide

2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide (PubChem CID 47986094) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
PubChem CID47986094
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide
SMILESCc1cc(C)n(C(C)C(=O)NCC(C)C)n1
InChIInChI=1S/C12H21N3O/c1-8(2)7-13-12(16)11(5)15-10(4)6-9(3)14-15/h6,8,11H,7H2,1-5H3,(H,13,16)
InChIKeyHYPIVSSAASHAJQ-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-hydroxypropanamide
CID 131134395
N-(2-methylpropyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534685
(2S)-2-[2-(3,5-dimethylpyrazol-1-yl)propanoylamino]-4-methylpentanoic acid
CID 91645223
(2S)-N-(2-anilinoethyl)-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 95980716
2-(3,5-dimethylpyrazol-1-yl)-N-(2-hydroxy-2-naphthalen-2-ylethyl)propanamide
CID 75381510
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-(2-methoxyphenoxy)propyl]propanamide
CID 96567828
2-(3,5-dimethylpyrazol-1-yl)-N-[(1-hydroxycyclohexyl)methyl]propanamide
CID 111446024
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(2R)-2-hydroxy-2-(3-propan-2-yloxyphenyl)ethyl]propanamide
CID 97068294
2-(3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 47406603
2-(3,5-dimethylpyrazol-1-yl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472022
N-[2-(benzenesulfinyl)ethyl]-2-(3,5-dimethylpyrazol-1-yl)propanamide
CID 56787038
(2R)-2-(3,5-dimethylpyrazol-1-yl)-N-[(3-ethylimidazol-4-yl)methyl]propanamide
CID 124849946

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide (CID 47986094) is 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide is Cc1cc(C)n(C(C)C(=O)NCC(C)C)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide?
The InChIKey is HYPIVSSAASHAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)7-13-12(16)11(5)15-10(4)6-9(3)14-15/h6,8,11H,7H2,1-5H3,(H,13,16).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide?
2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide has a molecular weight of 223.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 47986094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).