4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide

C24H28N4O3 — CID 19412600

IUPAC4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)c(C(N)=O)n1
InChIInChI=1S/C24H28N4O3/c1-5-28-14-20(21(27-28)22(25)29)26-23(30)17-8-6-7-16(13-17)15-31-19-11-9-18(10-12-19)24(2,3)4/h6-14H,5,15H2,1-4H3,(H2,25,29)(H,26,30)
InChIKeyAXANVAUMQKGMOZ-UHFFFAOYSA-N
MW420.51 g/mol
LogP4.13
Rot. Bonds7

About 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide

4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide (PubChem CID 19412600) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
PubChem CID19412600
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)c(C(N)=O)n1
InChIInChI=1S/C24H28N4O3/c1-5-28-14-20(21(27-28)22(25)29)26-23(30)17-8-6-7-16(13-17)15-31-19-11-9-18(10-12-19)24(2,3)4/h6-14H,5,15H2,1-4H3,(H2,25,29)(H,26,30)
InChIKeyAXANVAUMQKGMOZ-UHFFFAOYSA-N
XLogP4.13
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[3-[(4-ethoxyphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400249
4-[(3,4-diethoxybenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412447
1-ethyl-N-(furan-2-ylmethyl)-4-[[3-[(4-propan-2-ylphenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19400220
1-ethyl-4-[[3-[(3-methyl-4-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398428
methyl 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342284
4-[(3,4-dimethylbenzoyl)amino]-1-ethylpyrazole-3-carboxamide
CID 19412582
1-ethyl-N-propyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19398436
1-ethyl-N-methyl-4-[[3-(2,2,3,3-tetrafluoropropoxymethyl)benzoyl]amino]pyrazole-3-carboxamide
CID 19410736
4-[[3-[(4-bromophenoxy)methyl]benzoyl]amino]-N,1-dimethylpyrazole-3-carboxamide
CID 19408944
4-[[5-[(3-chlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412473
propan-2-yl 4-[[3-[(2,4-dimethylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404509
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286039

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide (CID 19412600) is 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide is CCn1cc(NC(=O)c2cccc(COc3ccc(C(C)(C)C)cc3)c2)c(C(N)=O)n1.
What is the InChIKey of 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
The InChIKey is AXANVAUMQKGMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-5-28-14-20(21(27-28)22(25)29)26-23(30)17-8-6-7-16(13-17)15-31-19-11-9-18(10-12-19)24(2,3)4/h6-14H,5,15H2,1-4H3,(H2,25,29)(H,26,30).
What are the key properties of 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide?
4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide has a molecular weight of 420.51 g/mol, XLogP of 4.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19412600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).