2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

C23H28N4O — CID 55912722

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-15-26(18-22(28)25(2)3)16-20-17-27(21-13-9-6-10-14-21)24-23(20)19-11-7-5-8-12-19/h5-14,17H,4,15-16,18H2,1-3H3
InChIKeyMJNFINGBOLSQJG-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.84
Rot. Bonds8

About 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide

2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (PubChem CID 55912722) has the molecular formula C23H28N4O and a molecular weight of 376.50 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
PubChem CID55912722
Molecular FormulaC23H28N4O
Molecular Weight376.50 g/mol
Exact Mass376.23
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H28N4O/c1-4-15-26(18-22(28)25(2)3)16-20-17-27(21-13-9-6-10-14-21)24-23(20)19-11-7-5-8-12-19/h5-14,17H,4,15-16,18H2,1-3H3
InChIKeyMJNFINGBOLSQJG-UHFFFAOYSA-N
XLogP3.84
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
(E)-3-(4-cyanophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylprop-2-enamide
CID 17457526
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide (CID 55912722) is 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
The InChIKey is MJNFINGBOLSQJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O/c1-4-15-26(18-22(28)25(2)3)16-20-17-27(21-13-9-6-10-14-21)24-23(20)19-11-7-5-8-12-19/h5-14,17H,4,15-16,18H2,1-3H3.
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide?
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide has a molecular weight of 376.50 g/mol, XLogP of 3.84, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 55912722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).