2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide

C22H26N4O — CID 8915077

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-3-14-23-21(27)17-25(2)15-19-16-26(20-12-8-5-9-13-20)24-22(19)18-10-6-4-7-11-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,23,27)
InChIKeyVVMSPFFMXYOPFN-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.50
Rot. Bonds8

About 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide

2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide (PubChem CID 8915077) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
PubChem CID8915077
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-3-14-23-21(27)17-25(2)15-19-16-26(20-12-8-5-9-13-20)24-22(19)18-10-6-4-7-11-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,23,27)
InChIKeyVVMSPFFMXYOPFN-UHFFFAOYSA-N
XLogP3.50
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.48
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
CID 8683016
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
3-(N-[2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetyl]anilino)propanamide
CID 34708687
N-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 55504042
(1R)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-1-phenylethanol
CID 31927363
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
2-[methyl-[(2-methylphenyl)methyl]amino]-N-propylacetamide
CID 47006716

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide (CID 8915077) is 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
The InChIKey is VVMSPFFMXYOPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-14-23-21(27)17-25(2)15-19-16-26(20-12-8-5-9-13-20)24-22(19)18-10-6-4-7-11-18/h4-13,16H,3,14-15,17H2,1-2H3,(H,23,27).
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide?
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide has a molecular weight of 362.48 g/mol, XLogP of 3.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide is sourced from PubChem (CID 8915077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).