1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide

C24H24N4O3 — CID 24982499

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccccc2OC)on1
InChIInChI=1S/C24H24N4O3/c1-3-19-13-20(31-27-19)16-28-22(14-21(26-28)17-9-5-4-6-10-17)24(29)25-15-18-11-7-8-12-23(18)30-2/h4-14H,3,15-16H2,1-2H3,(H,25,29)
InChIKeyWDCZCAKQTIGYRP-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.09
Rot. Bonds8

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide (PubChem CID 24982499) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
PubChem CID24982499
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
SMILESCCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccccc2OC)on1
InChIInChI=1S/C24H24N4O3/c1-3-19-13-20(31-27-19)16-28-22(14-21(26-28)17-9-5-4-6-10-17)24(29)25-15-18-11-7-8-12-23(18)30-2/h4-14H,3,15-16H2,1-2H3,(H,25,29)
InChIKeyWDCZCAKQTIGYRP-UHFFFAOYSA-N
XLogP4.09
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-{1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl}[5-(3-methoxyphenyl)iso xazol-3-yl]carboxamide
CID 15988736
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)-3-methoxybenzamide
CID 25206166
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 57945012
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-methoxybenzamide
CID 57945020
N-[(3S)-1-(cyclobutylamino)-1-oxo-5-piperidin-1-ylpentan-3-yl]-1-cyclopentyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 129226287
N-[1-(4-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3235585
N-[1-(2-chlorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]-5-(4-methoxyphenyl)isoxazole-3-carboxamide
CID 3236272
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-5-(2,5-dimethoxyphenyl)isoxazole-3-carboxamide
CID 3236902
N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3238250
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-5-(3-methoxyphenyl)isoxazole-3-carboxamide
CID 3240170
5-(3-methoxyphenyl)-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 3243257
N-(cyclopropylmethyl)-1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980474

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide (CID 24982499) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide is CCc1cc(Cn2nc(-c3ccccc3)cc2C(=O)NCc2ccccc2OC)on1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
The InChIKey is WDCZCAKQTIGYRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-3-19-13-20(31-27-19)16-28-22(14-21(26-28)17-9-5-4-6-10-17)24(29)25-15-18-11-7-8-12-23(18)30-2/h4-14H,3,15-16H2,1-2H3,(H,25,29).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 24982499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).