N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide

C31H28N4O2 — CID 42732056

IUPACN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C31H28N4O2/c1-2-20-34(31(37)27-19-11-15-23-12-9-10-18-26(23)27)22-30(36)32-29-21-28(24-13-5-3-6-14-24)33-35(29)25-16-7-4-8-17-25/h3-19,21H,2,20,22H2,1H3,(H,32,36)
InChIKeyOZQCCJRYUAIQGN-UHFFFAOYSA-N
MW488.59 g/mol
LogP6.18
Rot. Bonds8

About N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide

N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide (PubChem CID 42732056) has the molecular formula C31H28N4O2 and a molecular weight of 488.59 g/mol. Its IUPAC name is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
PubChem CID42732056
Molecular FormulaC31H28N4O2
Molecular Weight488.59 g/mol
Exact Mass488.22
IUPAC NameN-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc2ccccc12
InChIInChI=1S/C31H28N4O2/c1-2-20-34(31(37)27-19-11-15-23-12-9-10-18-26(23)27)22-30(36)32-29-21-28(24-13-5-3-6-14-24)33-35(29)25-16-7-4-8-17-25/h3-19,21H,2,20,22H2,1H3,(H,32,36)
InChIKeyOZQCCJRYUAIQGN-UHFFFAOYSA-N
XLogP6.18
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.59
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 1052048
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
CID 3524528
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017
4-tert-butyl-N-[2-[[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylbenzamide
CID 5091780
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-3-methoxy-N-pentylbenzamide
CID 3643539
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-ethyl-2-fluoro-N-[2-[[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]benzamide
CID 42731982
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-3-methoxybenzamide
CID 42731746
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-pentyl-2,2-diphenylacetamide
CID 5107189
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide?
The IUPAC name of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide (CID 42732056) is N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide.
What is the SMILES notation for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide?
The canonical SMILES for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide?
The InChIKey is OZQCCJRYUAIQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N4O2/c1-2-20-34(31(37)27-19-11-15-23-12-9-10-18-26(23)27)22-30(36)32-29-21-28(24-13-5-3-6-14-24)33-35(29)25-16-7-4-8-17-25/h3-19,21H,2,20,22H2,1H3,(H,32,36).
What are the key properties of N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide?
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide has a molecular weight of 488.59 g/mol, XLogP of 6.18, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide is sourced from PubChem (CID 42732056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).