3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide

C13H16N4O — CID 104616482

IUPAC3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1N
InChIInChI=1S/C13H16N4O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyLHUFIDSMFKBIOH-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.17
Rot. Bonds2

About 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide

3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide (PubChem CID 104616482) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
PubChem CID104616482
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1N
InChIInChI=1S/C13H16N4O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyLHUFIDSMFKBIOH-UHFFFAOYSA-N
XLogP2.17
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3,4-dimethylbenzamide
CID 112687360
3-amino-4-(dimethylamino)-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 104616472
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 113227581
N-(4,5-dimethyl-1H-pyrazol-3-yl)-2,3-dihydro-1H-indole-5-carboxamide
CID 104618763
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-1,3-benzothiazole-6-carboxamide
CID 104618861
3-acetamido-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 115594898
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylsulfonylbenzamide
CID 115594880
4-cyano-N-(4,5-dimethyl-1H-pyrazol-3-yl)benzamide
CID 113227579
N-(4,5-dimethyl-1H-pyrazol-3-yl)-1-methyl-2-oxopyridine-4-carboxamide
CID 115610262
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-methylbenzamide
CID 104616434
2-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4,5-difluorobenzamide
CID 104616474

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide (CID 104616482) is 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2n[nH]c(C)c2C)cc1N.
What is the InChIKey of 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
The InChIKey is LHUFIDSMFKBIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-7-4-5-10(6-11(7)14)13(18)15-12-8(2)9(3)16-17-12/h4-6H,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide?
3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide has a molecular weight of 244.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide is sourced from PubChem (CID 104616482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).