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

C12H22N4O — CID 115573484

IUPAC2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCn1nc(C)cc1C
InChIInChI=1S/C12H22N4O/c1-9-8-10(2)16(15-9)7-5-6-14-11(3)12(17)13-4/h8,11,14H,5-7H2,1-4H3,(H,13,17)
InChIKeyNFFLPNPHVLQPMT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.61
Rot. Bonds6

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

2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide (PubChem CID 115573484) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
PubChem CID115573484
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide
SMILESCNC(=O)C(C)NCCCn1nc(C)cc1C
InChIInChI=1S/C12H22N4O/c1-9-8-10(2)16(15-9)7-5-6-14-11(3)12(17)13-4/h8,11,14H,5-7H2,1-4H3,(H,13,17)
InChIKeyNFFLPNPHVLQPMT-UHFFFAOYSA-N
XLogP0.61
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
methyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]butanoate
CID 115977434
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,6-dimethylheptan-4-amine
CID 115706653
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-1-morpholin-4-ylpropan-1-one
CID 115569816
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
ethyl 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropanoate
CID 114536496
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
1-cyclobutyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-2-amine
CID 115706636
1-N,4-N-bis[3-(3,5-dimethylpyrazol-1-yl)propyl]benzene-1,4-dicarboxamide
CID 43020223
1-butyl-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 19332430
1-cyclopropyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]propan-1-amine
CID 115706698

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide?
The IUPAC name of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide (CID 115573484) is 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide?
The canonical SMILES for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide is CNC(=O)C(C)NCCCn1nc(C)cc1C.
What is the InChIKey of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide?
The InChIKey is NFFLPNPHVLQPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9-8-10(2)16(15-9)7-5-6-14-11(3)12(17)13-4/h8,11,14H,5-7H2,1-4H3,(H,13,17).
What are the key properties of 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide?
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide has a molecular weight of 238.33 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-N-methylpropanamide is sourced from PubChem (CID 115573484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).