N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide

C19H19N3O2 — CID 895159

IUPACN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O2/c1-13-18(14(2)22(21-13)16-9-5-4-6-10-16)20-19(23)15-8-7-11-17(12-15)24-3/h4-12H,1-3H3,(H,20,23)
InChIKeyNFDKQRXQICFNOG-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.75
Rot. Bonds4

About N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide

N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide (PubChem CID 895159) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
PubChem CID895159
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C19H19N3O2/c1-13-18(14(2)22(21-13)16-9-5-4-6-10-16)20-19(23)15-8-7-11-17(12-15)24-3/h4-12H,1-3H3,(H,20,23)
InChIKeyNFDKQRXQICFNOG-UHFFFAOYSA-N
XLogP3.75
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide?
The IUPAC name of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide (CID 895159) is N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide.
What is the SMILES notation for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide?
The canonical SMILES for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide is COc1cccc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide?
The InChIKey is NFDKQRXQICFNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-18(14(2)22(21-13)16-9-5-4-6-10-16)20-19(23)15-8-7-11-17(12-15)24-3/h4-12H,1-3H3,(H,20,23).
What are the key properties of N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide?
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide has a molecular weight of 321.38 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3-methoxybenzamide is sourced from PubChem (CID 895159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).