3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide

C13H16N4O — CID 63328310

IUPAC3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1cc(-c2ccc(N)cc2)cn1)C(N)=O
InChIInChI=1S/C13H16N4O/c1-9(13(15)18)7-17-8-11(6-16-17)10-2-4-12(14)5-3-10/h2-6,8-9H,7,14H2,1H3,(H2,15,18)
InChIKeyKNSWGMDTULVGMM-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.25
Rot. Bonds4

About 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide

3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide (PubChem CID 63328310) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide.

Molecular Properties

Compound Name3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
PubChem CID63328310
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide
SMILESCC(Cn1cc(-c2ccc(N)cc2)cn1)C(N)=O
InChIInChI=1S/C13H16N4O/c1-9(13(15)18)7-17-8-11(6-16-17)10-2-4-12(14)5-3-10/h2-6,8-9H,7,14H2,1H3,(H2,15,18)
InChIKeyKNSWGMDTULVGMM-UHFFFAOYSA-N
XLogP1.25
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.25
H-Bond Donors ≤ 52
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 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide?
The IUPAC name of 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide (CID 63328310) is 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide.
What is the SMILES notation for 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide?
The canonical SMILES for 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide is CC(Cn1cc(-c2ccc(N)cc2)cn1)C(N)=O.
What is the InChIKey of 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide?
The InChIKey is KNSWGMDTULVGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-9(13(15)18)7-17-8-11(6-16-17)10-2-4-12(14)5-3-10/h2-6,8-9H,7,14H2,1H3,(H2,15,18).
What are the key properties of 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide?
3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide has a molecular weight of 244.30 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-aminophenyl)pyrazol-1-yl]-2-methylpropanamide is sourced from PubChem (CID 63328310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).