4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide

C23H25N3O2 — CID 55918590

IUPAC4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H25N3O2/c1-5-14-25(16-19-6-12-22(28-4)13-7-19)23(27)20-8-10-21(11-9-20)26-18(3)15-17(2)24-26/h5-13,15H,1,14,16H2,2-4H3
InChIKeyKBAZHFROXCWYMH-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.33
Rot. Bonds7

About 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide

4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide (PubChem CID 55918590) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide.

Molecular Properties

Compound Name4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
PubChem CID55918590
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide
SMILESC=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1
InChIInChI=1S/C23H25N3O2/c1-5-14-25(16-19-6-12-22(28-4)13-7-19)23(27)20-8-10-21(11-9-20)26-18(3)15-17(2)24-26/h5-13,15H,1,14,16H2,2-4H3
InChIKeyKBAZHFROXCWYMH-UHFFFAOYSA-N
XLogP4.33
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 4-methoxybenzoate
CID 60600774
N-ethyl-4-methoxy-N-prop-2-enylbenzamide
CID 84558976
5-bromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 55918848
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-(2-methoxyethyl)benzamide
CID 26292074
N-benzyl-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26912749
prop-2-enyl 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 50887443
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26826334
3,5-dimethoxy-N-[(4-methoxyphenyl)methyl]-4-phenylmethoxy-N-prop-2-enylbenzamide
CID 55917567
4-chloro-N-[[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]methyl]-N-prop-2-enylbenzamide
CID 42819277
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55918586
2,2,2-tribromo-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 10527770
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-(3,5-dimethylpyrazol-1-yl)-N-methylbenzamide
CID 26071977

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The IUPAC name of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide (CID 55918590) is 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide.
What is the SMILES notation for 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The canonical SMILES for 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide is C=CCN(Cc1ccc(OC)cc1)C(=O)c1ccc(-n2nc(C)cc2C)cc1.
What is the InChIKey of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
The InChIKey is KBAZHFROXCWYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-5-14-25(16-19-6-12-22(28-4)13-7-19)23(27)20-8-10-21(11-9-20)26-18(3)15-17(2)24-26/h5-13,15H,1,14,16H2,2-4H3.
What are the key properties of 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide?
4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide has a molecular weight of 375.47 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpyrazol-1-yl)-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylbenzamide is sourced from PubChem (CID 55918590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).