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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Related Compounds

3,5-dimethoxy-N-(5-methyl-2-phenylpyrazol-3-yl)benzamide
CID 2359886
N-[4-(5-tert-butyltriazol-1-yl)phenyl]-3-methoxybenzamide
CID 4189088
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
N-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-3-methoxybenzamide
CID 658976
N-(1-benzyl-1H-pyrazol-4-yl)-3-ethoxybenzamide
CID 1223790
N-(1,3-diphenyl-1H-pyrazol-5-yl)-3-methoxybenzamide
CID 11710424
[2-[(3,5-Dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792771
N-[4-[3-(Trifluoromethyl)-5-methoxy-1H-pyrazole-1-yl]phenyl]-2-fluorobenzamide
CID 11794090
(3,5-dimethyl-1H-pyrazol-1-yl)(4-methoxyphenyl)methanone
CID 910410
N-(3-methoxybenzyl)-5-(3-methoxyphenyl)-1H-pyrazole-3-carboxamide
CID 16022629
N-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl)-3,4-dimethoxybenzamide
CID 658857
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 894645

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).