2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide

C22H26N4O — CID 8683016

IUPAC2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-3-23-21(27)17-25(4-2)15-19-16-26(20-13-9-6-10-14-20)24-22(19)18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,27)
InChIKeyRCNZSTSFAJXTIG-UHFFFAOYSA-N
MW362.48 g/mol
LogP3.50
Rot. Bonds8

About 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide

2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide (PubChem CID 8683016) 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-ethylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
PubChem CID8683016
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H26N4O/c1-3-23-21(27)17-25(4-2)15-19-16-26(20-13-9-6-10-14-20)24-22(19)18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,27)
InChIKeyRCNZSTSFAJXTIG-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-ethyl-2-[ethyl-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]amino]acetamide
CID 9433463
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-propylacetamide
CID 8915077
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 134049672
N-[(2R)-butan-2-yl]-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 8915030
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
(1,3-diphenylpyrazol-4-yl)methyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-methylazanium
CID 8915264
2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]-N-(2-methylphenyl)acetamide
CID 9437010
(1,3-diphenylpyrazol-4-yl)methyl-[2-(ethylcarbamoylamino)-2-oxoethyl]-methylazanium
CID 9437025
4-[(1,3-diphenylpyrazol-4-yl)methyl]-N-ethylpiperazine-1-carboxamide
CID 78818653
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-(3,5-dimethoxyphenyl)-2-[(1,3-diphenylpyrazol-4-yl)methyl-methylamino]acetamide
CID 39791312

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The IUPAC name of 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide (CID 8683016) is 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide is CCNC(=O)CN(CC)Cc1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
The InChIKey is RCNZSTSFAJXTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O/c1-3-23-21(27)17-25(4-2)15-19-16-26(20-13-9-6-10-14-20)24-22(19)18-11-7-5-8-12-18/h5-14,16H,3-4,15,17H2,1-2H3,(H,23,27).
What are the key properties of 2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide?
2-[(1,3-diphenylpyrazol-4-yl)methyl-ethylamino]-N-ethylacetamide 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-ethylamino]-N-ethylacetamide is sourced from PubChem (CID 8683016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).