N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide

C22H26N4O — CID 119164766

IUPACN-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H26N4O/c1-15(19-9-8-10-20(13-19)24-18(4)27)23-14-22-16(2)25-26(17(22)3)21-11-6-5-7-12-21/h5-13,15,23H,14H2,1-4H3,(H,24,27)
InChIKeyGRFYEOFYSUBOHU-UHFFFAOYSA-N
MW362.48 g/mol
LogP4.30
Rot. Bonds6

About N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide

N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide (PubChem CID 119164766) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide
PubChem CID119164766
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC NameN-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)NCc2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C22H26N4O/c1-15(19-9-8-10-20(13-19)24-18(4)27)23-14-22-16(2)25-26(17(22)3)21-11-6-5-7-12-21/h5-13,15,23H,14H2,1-4H3,(H,24,27)
InChIKeyGRFYEOFYSUBOHU-UHFFFAOYSA-N
XLogP4.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(3-propan-2-ylphenyl)acetamide
CID 9226832
N-[4-[[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]methyl]phenyl]acetamide;oxalic acid
CID 17410122
2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9307551
N-[3-[1-[(2-methyl-1,3-thiazol-4-yl)methylamino]ethyl]phenyl]acetamide
CID 43210210
N-[3-[1-[(2-ethylpyrazol-3-yl)methylamino]ethyl]phenyl]acetamide
CID 115761611
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-(1-naphthalen-2-ylethyl)acetamide
CID 46599157
N-[3-[1-[(6-bromo-2-pyridinyl)methylamino]ethyl]phenyl]acetamide
CID 115937822
3-acetyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 9191226
3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55363766
N-[1-(3-acetamidophenyl)ethyl]-5-ethyl-1-phenylpyrazole-4-carboxamide
CID 55585413
N-[3-[1-[(2-hydroxy-2-phenylpropyl)amino]ethyl]phenyl]acetamide
CID 110912716
N-[3-[1-(but-2-ynylamino)ethyl]phenyl]acetamide
CID 62309945

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide (CID 119164766) is N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)NCc2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide?
The InChIKey is GRFYEOFYSUBOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-15(19-9-8-10-20(13-19)24-18(4)27)23-14-22-16(2)25-26(17(22)3)21-11-6-5-7-12-21/h5-13,15,23H,14H2,1-4H3,(H,24,27).
What are the key properties of N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide?
N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide has a molecular weight of 362.48 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]ethyl]phenyl]acetamide is sourced from PubChem (CID 119164766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).