2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide

C29H38N4O3 — CID 4302893

IUPAC2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C29H38N4O3/c1-6-8-12-22(7-2)29(35)32(21(3)4)20-28(34)30-27-19-26(23-13-10-9-11-14-23)31-33(27)24-15-17-25(36-5)18-16-24/h9-11,13-19,21-22H,6-8,12,20H2,1-5H3,(H,30,34)
InChIKeyXSAAQBPABCXFJT-UHFFFAOYSA-N
MW490.65 g/mol
LogP5.94
Rot. Bonds12

About 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide

2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide (PubChem CID 4302893) has the molecular formula C29H38N4O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
PubChem CID4302893
Molecular FormulaC29H38N4O3
Molecular Weight490.65 g/mol
Exact Mass490.29
IUPAC Name2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide
SMILESCCCCC(CC)C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(C)C
InChIInChI=1S/C29H38N4O3/c1-6-8-12-22(7-2)29(35)32(21(3)4)20-28(34)30-27-19-26(23-13-10-9-11-14-23)31-33(27)24-15-17-25(36-5)18-16-24/h9-11,13-19,21-22H,6-8,12,20H2,1-5H3,(H,30,34)
InChIKeyXSAAQBPABCXFJT-UHFFFAOYSA-N
XLogP5.94
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.65
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-tert-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3899691
N-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methylpropanamide
CID 42731978
2-ethyl-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)hexanamide
CID 5107350
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 42741285
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylfuran-2-carboxamide
CID 42741282
2-(4-methoxyphenyl)-N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylacetamide
CID 42741085
N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propylbutanamide
CID 42732023
N-[2-[[1-(4-methylphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 3966020
N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-2-[(4-methoxyphenyl)sulfonyl-pentylamino]acetamide
CID 3993439
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3,5-dimethoxy-N-propan-2-ylbenzamide
CID 1052090
N-butyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]nonanamide
CID 3579116
(2R)-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylbutanamide
CID 92514798

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The IUPAC name of 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide (CID 4302893) is 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide.
What is the SMILES notation for 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The canonical SMILES for 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide is CCCCC(CC)C(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(C)C.
What is the InChIKey of 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
The InChIKey is XSAAQBPABCXFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N4O3/c1-6-8-12-22(7-2)29(35)32(21(3)4)20-28(34)30-27-19-26(23-13-10-9-11-14-23)31-33(27)24-15-17-25(36-5)18-16-24/h9-11,13-19,21-22H,6-8,12,20H2,1-5H3,(H,30,34).
What are the key properties of 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide?
2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide has a molecular weight of 490.65 g/mol, XLogP of 5.94, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propan-2-ylhexanamide is sourced from PubChem (CID 4302893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).