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

C13H24N4O — CID 115737982

IUPAC3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)(C)CN)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-5-6-15-12(18)13(3,4)9-14/h8H,5-7,9,14H2,1-4H3,(H,15,18)
InChIKeyJAPMJOSWXMTDGR-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.99
Rot. Bonds6

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

3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide (PubChem CID 115737982) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
PubChem CID115737982
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide
SMILESCc1cc(C)n(CCCNC(=O)C(C)(C)CN)n1
InChIInChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-5-6-15-12(18)13(3,4)9-14/h8H,5-7,9,14H2,1-4H3,(H,15,18)
InChIKeyJAPMJOSWXMTDGR-UHFFFAOYSA-N
XLogP0.99
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 50.99
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

2-carbamothioyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 114536914
2-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3,3-dimethylbutanamide
CID 115750968
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylpropanamide
CID 115571202
6-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]hexanamide
CID 115597233
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
ethyl 2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetate
CID 115571558
2-[3-(3,5-dimethylpyrazol-1-yl)propylcarbamoylamino]acetic acid
CID 113363032
1-(4-tert-butylphenyl)-3-[3-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 166207403
1-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-methylguanidine
CID 110914283
1-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 119266857

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide (CID 115737982) is 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide is Cc1cc(C)n(CCCNC(=O)C(C)(C)CN)n1.
What is the InChIKey of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide?
The InChIKey is JAPMJOSWXMTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-10-8-11(2)17(16-10)7-5-6-15-12(18)13(3,4)9-14/h8H,5-7,9,14H2,1-4H3,(H,15,18).
What are the key properties of 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide?
3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 115737982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).