N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

C21H22N4O2 — CID 47084051

IUPACN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(CC(N)=O)cc3)c2)n1
InChIInChI=1S/C21H22N4O2/c1-14-10-15(2)25(24-14)13-17-4-3-5-18(11-17)21(27)23-19-8-6-16(7-9-19)12-20(22)26/h3-11H,12-13H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyCPVXCCWCCLDEHD-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.83
Rot. Bonds6

About N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide

N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (PubChem CID 47084051) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
PubChem CID47084051
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(CC(N)=O)cc3)c2)n1
InChIInChI=1S/C21H22N4O2/c1-14-10-15(2)25(24-14)13-17-4-3-5-18(11-17)21(27)23-19-8-6-16(7-9-19)12-20(22)26/h3-11H,12-13H2,1-2H3,(H2,22,26)(H,23,27)
InChIKeyCPVXCCWCCLDEHD-UHFFFAOYSA-N
XLogP2.83
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-carbamoylphenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 48980777
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(5-methyl-2-pyridinyl)benzamide
CID 35324318
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1,2-oxazol-3-yl)benzamide
CID 35324427
N-(4-bromophenyl)-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 94872709
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyridin-4-ylbenzamide
CID 49016835
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-methoxyphenyl)benzamide
CID 48980527
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]benzamide
CID 19345828
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19398933
N'-[3-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]-2-hydroxybenzohydrazide
CID 51128117
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(7-methoxyquinolin-3-yl)benzamide
CID 95744908

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The IUPAC name of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide (CID 47084051) is N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide.
What is the SMILES notation for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The canonical SMILES for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccc(CC(N)=O)cc3)c2)n1.
What is the InChIKey of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
The InChIKey is CPVXCCWCCLDEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-10-15(2)25(24-14)13-17-4-3-5-18(11-17)21(27)23-19-8-6-16(7-9-19)12-20(22)26/h3-11H,12-13H2,1-2H3,(H2,22,26)(H,23,27).
What are the key properties of N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide?
N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-amino-2-oxoethyl)phenyl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide is sourced from PubChem (CID 47084051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).