4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide

C20H30N4O2 — CID 86850984

IUPAC4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCc2c(C)nn(CCOC)c2C)cc1
InChIInChI=1S/C20H30N4O2/c1-6-23(7-2)18-10-8-17(9-11-18)20(25)21-14-19-15(3)22-24(16(19)4)12-13-26-5/h8-11H,6-7,12-14H2,1-5H3,(H,21,25)
InChIKeyNJFLPXRRLOEMOC-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.92
Rot. Bonds9

About 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide

4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide (PubChem CID 86850984) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
PubChem CID86850984
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide
SMILESCCN(CC)c1ccc(C(=O)NCc2c(C)nn(CCOC)c2C)cc1
InChIInChI=1S/C20H30N4O2/c1-6-23(7-2)18-10-8-17(9-11-18)20(25)21-14-19-15(3)22-24(16(19)4)12-13-26-5/h8-11H,6-7,12-14H2,1-5H3,(H,21,25)
InChIKeyNJFLPXRRLOEMOC-UHFFFAOYSA-N
XLogP2.92
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dimethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 110444483
N-[(3,5-dimethyl-1-propylpyrazol-4-yl)methyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 72939783
4-chloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]pyridine-2-carboxamide
CID 86846936
2,5-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]thiophene-3-carboxamide
CID 47079521
4-(diethylamino)-N-(3-methoxypropyl)benzamide
CID 17310827
2,2-dichloro-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]cyclopropane-1-carboxamide
CID 86846937
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1H-indazole-7-carboxamide
CID 47079610
4-iodo-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 79036409
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-2-(3-nitropyrazol-1-yl)acetamide
CID 48506880
(E)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-pyridin-3-ylprop-2-enamide
CID 48528185
methyl 1-[N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253477

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide?
The IUPAC name of 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide (CID 86850984) is 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide is CCN(CC)c1ccc(C(=O)NCc2c(C)nn(CCOC)c2C)cc1.
What is the InChIKey of 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide?
The InChIKey is NJFLPXRRLOEMOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-6-23(7-2)18-10-8-17(9-11-18)20(25)21-14-19-15(3)22-24(16(19)4)12-13-26-5/h8-11H,6-7,12-14H2,1-5H3,(H,21,25).
What are the key properties of 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide?
4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide has a molecular weight of 358.49 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]benzamide is sourced from PubChem (CID 86850984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).