N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide

C12H21N3O — CID 115571202

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12(16)13-6-5-7-15-11(4)8-10(3)14-15/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyYWUBLEYMOMAODS-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.66
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide (PubChem CID 115571202) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
PubChem CID115571202
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)C)n1
InChIInChI=1S/C12H21N3O/c1-9(2)12(16)13-6-5-7-15-11(4)8-10(3)14-15/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyYWUBLEYMOMAODS-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoyl]propanamide
CID 114538986
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
CID 115573484
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
5-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-4-methylpentanamide
CID 114536632
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 19537924
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534766
(2S)-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 29218907
N-[4-[[[N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N'-methylcarbamimidoyl]amino]methyl]phenyl]-2-methylpropanamide
CID 111279213
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-[3-(2-methylpropoxy)propyl]urea
CID 78880670

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide (CID 115571202) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide is Cc1cc(C)n(CCCNC(=O)C(C)C)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
The InChIKey is YWUBLEYMOMAODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)12(16)13-6-5-7-15-11(4)8-10(3)14-15/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide has a molecular weight of 223.32 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide is sourced from PubChem (CID 115571202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).