4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide

C19H18ClN3O2 — CID 26179891

IUPAC4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
SMILESCc1nn(-c2ccc(C(=O)NOCc3ccccc3)cc2)c(C)c1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13-18(20)14(2)23(21-13)17-10-8-16(9-11-17)19(24)22-25-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyRPVCSNVWNJKTBD-UHFFFAOYSA-N
MW355.83 g/mol
LogP4.00
Rot. Bonds5

About 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide

4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide (PubChem CID 26179891) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
PubChem CID26179891
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide
SMILESCc1nn(-c2ccc(C(=O)NOCc3ccccc3)cc2)c(C)c1Cl
InChIInChI=1S/C19H18ClN3O2/c1-13-18(20)14(2)23(21-13)17-10-8-16(9-11-17)19(24)22-25-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,24)
InChIKeyRPVCSNVWNJKTBD-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 46436724
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]benzamide
CID 26905200
[2-(N-methylanilino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502125
4-phenyl-N-phenylmethoxybenzamide
CID 9227272
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoate
CID 16502091
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
4-[[4-(4-chloro-3,5-dimethylpyrazol-1-yl)benzoyl]amino]-N-(2-methoxyphenyl)benzamide
CID 26522602
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methyl-2-pyridinyl)benzamide
CID 35032045
N-[(4-methylphenyl)methoxy]benzamide
CID 2366824
4-bromo-N-phenylmethoxybenzamide
CID 41450559
6-methyl-N-phenylmethoxypyridine-3-carboxamide
CID 18149129
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[[3-(2-methylpropanoylamino)phenyl]methyl]benzamide
CID 46541622

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide?
The IUPAC name of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide (CID 26179891) is 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide?
The canonical SMILES for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide is Cc1nn(-c2ccc(C(=O)NOCc3ccccc3)cc2)c(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide?
The InChIKey is RPVCSNVWNJKTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c1-13-18(20)14(2)23(21-13)17-10-8-16(9-11-17)19(24)22-25-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,22,24).
What are the key properties of 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide?
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide has a molecular weight of 355.83 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-phenylmethoxybenzamide is sourced from PubChem (CID 26179891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).