N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide

C33H39N5O2 — CID 3524528

IUPACN-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H39N5O2/c1-6-20-37(33(40)35-32-27(23(2)3)18-13-19-28(32)24(4)5)22-31(39)34-30-21-29(25-14-9-7-10-15-25)36-38(30)26-16-11-8-12-17-26/h7-19,21,23-24H,6,20,22H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyYZBKSSPNJGUELU-UHFFFAOYSA-N
MW537.71 g/mol
LogP7.67
Rot. Bonds10

About N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide

N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide (PubChem CID 3524528) has the molecular formula C33H39N5O2 and a molecular weight of 537.71 g/mol. Its IUPAC name is N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide.

Molecular Properties

Compound NameN-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
PubChem CID3524528
Molecular FormulaC33H39N5O2
Molecular Weight537.71 g/mol
Exact Mass537.31
IUPAC NameN-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide
SMILESCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(C(C)C)cccc1C(C)C
InChIInChI=1S/C33H39N5O2/c1-6-20-37(33(40)35-32-27(23(2)3)18-13-19-28(32)24(4)5)22-31(39)34-30-21-29(25-14-9-7-10-15-25)36-38(30)26-16-11-8-12-17-26/h7-19,21,23-24H,6,20,22H2,1-5H3,(H,34,39)(H,35,40)
InChIKeyYZBKSSPNJGUELU-UHFFFAOYSA-N
XLogP7.67
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.71
LogP ≤ 57.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-dichlorophenyl)carbamoyl-ethylamino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3313857
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-propylnaphthalene-1-carboxamide
CID 42732056
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-N-ethyl-2-methylpropanamide
CID 1062156
2-[(2,3-dimethylphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 5040656
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[ethylcarbamoyl(propyl)amino]acetamide
CID 42732017
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-propylpropanamide
CID 1062343
N-[2-[(1,3-diphenylpyrazol-5-yl)amino]-2-oxoethyl]-4-fluoro-N-propylbenzamide
CID 42732051
2-[(2-ethoxyphenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 3686030
N-[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-3-methyl-N-propylbutanamide
CID 4024168
2-[butyl-[(4-ethylphenyl)carbamoyl]amino]-N-(1,3-diphenylpyrazol-5-yl)acetamide
CID 3986707
2-[(4-chlorophenyl)carbamoyl-propylamino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
CID 4216356
N-[1-(4-chlorophenyl)-3-phenylpyrazol-5-yl]-2-[(2,6-dimethylphenyl)carbamoyl-ethylamino]acetamide
CID 4543648

Frequently Asked Questions

What is the IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide?
The IUPAC name of N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide (CID 3524528) is N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide.
What is the SMILES notation for N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide?
The canonical SMILES for N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide is CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(=O)Nc1c(C(C)C)cccc1C(C)C.
What is the InChIKey of N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide?
The InChIKey is YZBKSSPNJGUELU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2/c1-6-20-37(33(40)35-32-27(23(2)3)18-13-19-28(32)24(4)5)22-31(39)34-30-21-29(25-14-9-7-10-15-25)36-38(30)26-16-11-8-12-17-26/h7-19,21,23-24H,6,20,22H2,1-5H3,(H,34,39)(H,35,40).
What are the key properties of N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide?
N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide has a molecular weight of 537.71 g/mol, XLogP of 7.67, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-diphenylpyrazol-5-yl)-2-[[2,6-di(propan-2-yl)phenyl]carbamoyl-propylamino]acetamide is sourced from PubChem (CID 3524528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).