4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide

C15H20N4O — CID 63338474

IUPAC4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(-c2ccccc2N)cn1
InChIInChI=1S/C15H20N4O/c1-18(2)15(20)8-5-9-19-11-12(10-17-19)13-6-3-4-7-14(13)16/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyLPCCWYFGRVYSSB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.00
Rot. Bonds5

About 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide

4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide (PubChem CID 63338474) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide
PubChem CID63338474
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cc(-c2ccccc2N)cn1
InChIInChI=1S/C15H20N4O/c1-18(2)15(20)8-5-9-19-11-12(10-17-19)13-6-3-4-7-14(13)16/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3
InChIKeyLPCCWYFGRVYSSB-UHFFFAOYSA-N
XLogP2.00
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide?
The IUPAC name of 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide (CID 63338474) is 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide.
What is the SMILES notation for 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide?
The canonical SMILES for 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cc(-c2ccccc2N)cn1.
What is the InChIKey of 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide?
The InChIKey is LPCCWYFGRVYSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-18(2)15(20)8-5-9-19-11-12(10-17-19)13-6-3-4-7-14(13)16/h3-4,6-7,10-11H,5,8-9,16H2,1-2H3.
What are the key properties of 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide?
4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide has a molecular weight of 272.35 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminophenyl)pyrazol-1-yl]-N,N-dimethylbutanamide is sourced from PubChem (CID 63338474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).