N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide

C24H30N4O — CID 18129608

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-4-27(16-21-11-7-5-8-12-21)18-24(29)25-15-23-19(2)26-28(20(23)3)17-22-13-9-6-10-14-22/h5-14H,4,15-18H2,1-3H3,(H,25,29)
InChIKeyHZKYYUUMWRSSFT-UHFFFAOYSA-N
MW390.53 g/mol
LogP3.69
Rot. Bonds9

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide (PubChem CID 18129608) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
PubChem CID18129608
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide
SMILESCCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1ccccc1
InChIInChI=1S/C24H30N4O/c1-4-27(16-21-11-7-5-8-12-21)18-24(29)25-15-23-19(2)26-28(20(23)3)17-22-13-9-6-10-14-22/h5-14H,4,15-18H2,1-3H3,(H,25,29)
InChIKeyHZKYYUUMWRSSFT-UHFFFAOYSA-N
XLogP3.69
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[2-hydroxyethyl(methyl)amino]acetamide
CID 110883026
2-[[2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]-butylamino]acetamide
CID 55741405
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 24566118
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-bromophenyl)methyl-methylamino]acetamide
CID 24565669
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(2-chloro-6-fluorophenyl)methyl-methylamino]acetamide
CID 24566382
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpropanamide
CID 35437972
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3,3-dicyclopropylpropanamide
CID 48574002
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[methyl-[[2-(trifluoromethoxy)phenyl]methyl]amino]acetamide
CID 24665168

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide (CID 18129608) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide is CCN(CC(=O)NCc1c(C)nn(Cc2ccccc2)c1C)Cc1ccccc1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide?
The InChIKey is HZKYYUUMWRSSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-4-27(16-21-11-7-5-8-12-21)18-24(29)25-15-23-19(2)26-28(20(23)3)17-22-13-9-6-10-14-22/h5-14H,4,15-18H2,1-3H3,(H,25,29).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide has a molecular weight of 390.53 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[benzyl(ethyl)amino]acetamide is sourced from PubChem (CID 18129608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).