N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide

C23H26N4O2 — CID 9140605

IUPACN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17-21(18(2)27(25-17)20-12-8-5-9-13-20)16-26(3)23(29)15-24-22(28)14-19-10-6-4-7-11-19/h4-13H,14-16H2,1-3H3,(H,24,28)
InChIKeyBUQYJCWOJOCOSA-UHFFFAOYSA-N
MW390.49 g/mol
LogP2.81
Rot. Bonds7

About N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide

N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 9140605) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
PubChem CID9140605
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC NameN-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C23H26N4O2/c1-17-21(18(2)27(25-17)20-12-8-5-9-13-20)16-26(3)23(29)15-24-22(28)14-19-10-6-4-7-11-19/h4-13H,14-16H2,1-3H3,(H,24,28)
InChIKeyBUQYJCWOJOCOSA-UHFFFAOYSA-N
XLogP2.81
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzyl-1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-1-methylurea
CID 27533724
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,3,3-trimethylbutanamide
CID 78799265
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(2-fluorophenyl)-N-methylacetamide
CID 9268418
2-(3,4-dichlorophenyl)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763365
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-3-nitrobenzamide
CID 9140514
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(1-phenylpyrazol-4-yl)acetamide
CID 31031484
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylhexanamide
CID 60521825
tert-butyl N-[3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-3-oxopropyl]carbamate
CID 31794007
3-acetamido-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-3-phenylpropanamide
CID 55363766
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 33214740
2-benzhydryloxy-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763735
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 8531865

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide (CID 9140605) is N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide is Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is BUQYJCWOJOCOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17-21(18(2)27(25-17)20-12-8-5-9-13-20)16-26(3)23(29)15-24-22(28)14-19-10-6-4-7-11-19/h4-13H,14-16H2,1-3H3,(H,24,28).
What are the key properties of N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 390.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 9140605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).