3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide

C20H21N3O2 — CID 43007655

IUPAC3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-11-16(12-15(14)2)19-18(20(24)22(3)25-4)13-23(21-19)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyRBQMAJXSBKWQAY-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.79
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide

3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 43007655) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID43007655
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C20H21N3O2/c1-14-10-11-16(12-15(14)2)19-18(20(24)22(3)25-4)13-23(21-19)17-8-6-5-7-9-17/h5-13H,1-4H3
InChIKeyRBQMAJXSBKWQAY-UHFFFAOYSA-N
XLogP3.79
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795989
3-(3,4-dimethylphenyl)-N-[2-(ethylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 9224757
3-(3,4-dimethylphenyl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 55869482
N-(2-chlorophenyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 2412473
3-(3,4-dimethylphenyl)-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]-1-phenylpyrazole-4-carboxamide
CID 9227765
3-(3,4-dimethylphenyl)-1-phenyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide
CID 126772957
3-(3,4-dimethoxyphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)-1-phenylpyrazole-4-carboxamide
CID 112795990
N-(4-aminocyclohexyl)-3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carboxamide;hydrochloride
CID 119477405
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
[4-[3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38911311
methyl N-[(Z)-[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methylideneamino]carbamate
CID 9075461
3-(3,4-dimethoxyphenyl)-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
CID 55488628

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide (CID 43007655) is 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide is CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is RBQMAJXSBKWQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-10-11-16(12-15(14)2)19-18(20(24)22(3)25-4)13-23(21-19)17-8-6-5-7-9-17/h5-13H,1-4H3.
What are the key properties of 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide?
3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-methoxy-N-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 43007655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).