5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide

C14H18N4O — CID 61312649

IUPAC5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCCc1c(C)nn(-c2ccc(N)cc2C(N)=O)c1C
InChIInChI=1S/C14H18N4O/c1-4-11-8(2)17-18(9(11)3)13-6-5-10(15)7-12(13)14(16)19/h5-7H,4,15H2,1-3H3,(H2,16,19)
InChIKeyKCOQHQVFMMCFJD-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.73
Rot. Bonds3

About 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide

5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 61312649) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound Name5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID61312649
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide
SMILESCCc1c(C)nn(-c2ccc(N)cc2C(N)=O)c1C
InChIInChI=1S/C14H18N4O/c1-4-11-8(2)17-18(9(11)3)13-6-5-10(15)7-12(13)14(16)19/h5-7H,4,15H2,1-3H3,(H2,16,19)
InChIKeyKCOQHQVFMMCFJD-UHFFFAOYSA-N
XLogP1.73
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.73
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 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide (CID 61312649) is 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide is CCc1c(C)nn(-c2ccc(N)cc2C(N)=O)c1C.
What is the InChIKey of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is KCOQHQVFMMCFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-4-11-8(2)17-18(9(11)3)13-6-5-10(15)7-12(13)14(16)19/h5-7H,4,15H2,1-3H3,(H2,16,19).
What are the key properties of 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide?
5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 258.32 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-ethyl-3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 61312649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).