4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide

C13H16N4O — CID 165451779

IUPAC4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2c(N)cnn2C)cc1C
InChIInChI=1S/C13H16N4O/c1-8-6-9(4-5-10(8)13(18)15-2)12-11(14)7-16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKYRYSPPZHQYQJT-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.34
Rot. Bonds2

About 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide

4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide (PubChem CID 165451779) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide
PubChem CID165451779
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide
SMILESCNC(=O)c1ccc(-c2c(N)cnn2C)cc1C
InChIInChI=1S/C13H16N4O/c1-8-6-9(4-5-10(8)13(18)15-2)12-11(14)7-16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18)
InChIKeyKYRYSPPZHQYQJT-UHFFFAOYSA-N
XLogP1.34
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide?
The IUPAC name of 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide (CID 165451779) is 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide is CNC(=O)c1ccc(-c2c(N)cnn2C)cc1C.
What is the InChIKey of 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide?
The InChIKey is KYRYSPPZHQYQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-8-6-9(4-5-10(8)13(18)15-2)12-11(14)7-16-17(12)3/h4-7H,14H2,1-3H3,(H,15,18).
What are the key properties of 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide?
4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1-methylpyrazol-5-yl)-N,2-dimethylbenzamide is sourced from PubChem (CID 165451779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).