N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide

C21H23N3O2 — CID 19406517

IUPACN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C21H23N3O2/c1-4-17-7-9-19(10-8-17)26-14-24-13-18(12-22-24)23-21(25)20-11-15(2)5-6-16(20)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyCUFKGGGMHCIBDR-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.35
Rot. Bonds6

About N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide (PubChem CID 19406517) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
PubChem CID19406517
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
SMILESCCc1ccc(OCn2cc(NC(=O)c3cc(C)ccc3C)cn2)cc1
InChIInChI=1S/C21H23N3O2/c1-4-17-7-9-19(10-8-17)26-14-24-13-18(12-22-24)23-21(25)20-11-15(2)5-6-16(20)3/h5-13H,4,14H2,1-3H3,(H,23,25)
InChIKeyCUFKGGGMHCIBDR-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,4-dimethylbenzamide
CID 19406519
1-[(2,5-dimethylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19272973
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethylpyrazole-4-carboxamide
CID 19474128
2,5-dimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19401831
4-[(2-chloro-5-methylphenoxy)methyl]-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]benzamide
CID 19406490
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-7-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19406547
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19407730
2-ethyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19475482
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19406430
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 19281724
2,5-dimethyl-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336310
4-bromo-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-5-carboxamide
CID 19480548

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The IUPAC name of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide (CID 19406517) is N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide.
What is the SMILES notation for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The canonical SMILES for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide is CCc1ccc(OCn2cc(NC(=O)c3cc(C)ccc3C)cn2)cc1.
What is the InChIKey of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
The InChIKey is CUFKGGGMHCIBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-4-17-7-9-19(10-8-17)26-14-24-13-18(12-22-24)23-21(25)20-11-15(2)5-6-16(20)3/h5-13H,4,14H2,1-3H3,(H,23,25).
What are the key properties of N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide?
N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide has a molecular weight of 349.43 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide is sourced from PubChem (CID 19406517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).