N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide

C26H30N4O4 — CID 19338889

IUPACN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3cnn(CC)c3C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H30N4O4/c1-3-19-8-10-22(11-9-19)34-18-20-6-5-7-21(16-20)25(31)28-23-17-27-30(4-2)24(23)26(32)29-12-14-33-15-13-29/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,31)
InChIKeyYGUIUQBKRLLMQW-UHFFFAOYSA-N
MW462.55 g/mol
LogP3.77
Rot. Bonds8

About N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide (PubChem CID 19338889) has the molecular formula C26H30N4O4 and a molecular weight of 462.55 g/mol. Its IUPAC name is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
PubChem CID19338889
Molecular FormulaC26H30N4O4
Molecular Weight462.55 g/mol
Exact Mass462.23
IUPAC NameN-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
SMILESCCc1ccc(OCc2cccc(C(=O)Nc3cnn(CC)c3C(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C26H30N4O4/c1-3-19-8-10-22(11-9-19)34-18-20-6-5-7-21(16-20)25(31)28-23-17-27-30(4-2)24(23)26(32)29-12-14-33-15-13-29/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,31)
InChIKeyYGUIUQBKRLLMQW-UHFFFAOYSA-N
XLogP3.77
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.55
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-(2,2,2-trifluoroethoxymethyl)benzamide
CID 19584614
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-4-methoxybenzamide
CID 19338897
3,4-diethoxy-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338842
5-[(3,4-dimethylphenoxy)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]furan-2-carboxamide
CID 19451030
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338974
2-chloro-N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]benzamide
CID 19338846
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-methoxy-2-methylbenzamide
CID 19338984
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 19338875
3-[4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471371
methyl 4-[[3-[(4-tert-butylphenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylate
CID 19342284
1-ethyl-4-[[3-[(2-methoxyphenoxy)methyl]benzoyl]amino]-N,N-dimethylpyrazole-5-carboxamide
CID 19339871
4-[[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496360

Frequently Asked Questions

What is the IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide (CID 19338889) is N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide is CCc1ccc(OCc2cccc(C(=O)Nc3cnn(CC)c3C(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
The InChIKey is YGUIUQBKRLLMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4/c1-3-19-8-10-22(11-9-19)34-18-20-6-5-7-21(16-20)25(31)28-23-17-27-30(4-2)24(23)26(32)29-12-14-33-15-13-29/h5-11,16-17H,3-4,12-15,18H2,1-2H3,(H,28,31).
What are the key properties of N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide?
N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide has a molecular weight of 462.55 g/mol, XLogP of 3.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-ethyl-5-(morpholine-4-carbonyl)pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide is sourced from PubChem (CID 19338889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).