N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide

C18H24N4O2 — CID 171139923

IUPACN-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide
SMILESCc1c(NC(=O)CN(CC=Cc2ccccc2)CCO)cnn1C
InChIInChI=1S/C18H24N4O2/c1-15-17(13-19-21(15)2)20-18(24)14-22(11-12-23)10-6-9-16-7-4-3-5-8-16/h3-9,13,23H,10-12,14H2,1-2H3,(H,20,24)
InChIKeyGPFAFVZZXYRXDS-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.67
Rot. Bonds8

About N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide

N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide (PubChem CID 171139923) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide
PubChem CID171139923
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC NameN-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide
SMILESCc1c(NC(=O)CN(CC=Cc2ccccc2)CCO)cnn1C
InChIInChI=1S/C18H24N4O2/c1-15-17(13-19-21(15)2)20-18(24)14-22(11-12-23)10-6-9-16-7-4-3-5-8-16/h3-9,13,23H,10-12,14H2,1-2H3,(H,20,24)
InChIKeyGPFAFVZZXYRXDS-UHFFFAOYSA-N
XLogP1.67
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-[3-(N-ethyl-3-methylanilino)propyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309042
N-[4-(Diethylamino)-2-methylphenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-YL)acetamide
CID 16012182
N-(4-acetamidophenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 16012214
N-[2-(N-ethylanilino)ethyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5307529
N'-{(1E,2E)-2-methyl-3-[4-(propan-2-yl)phenyl]prop-2-en-1-ylidene}-2-(5-methyl-1H-pyrazol-1-yl)acetohydrazide
CID 6889727
2-(Pyrazol-1-yl)-2'-methylacetanilide
CID 10465869
N-[4-(acetylamino)phenyl]-2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamide
CID 3238800
4-(Ethylamino)-2-methyl-5-(1-methylpyrazol-3-yl)-6-phenylpyridazin-3-one
CID 16756305
N-[1-(2-fluorobenzyl)-3-piperidinyl]-2-(3-methyl-1H-pyrazol-1-yl)acetamide
CID 45248797
3-[Benzyl-[[1-(2-methoxyethyl)pyrazol-4-yl]carbamoyl]amino]propanamide
CID 47048247
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4-(3-methylphenyl)piperazine-1-carboxamide
CID 53503502

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide (CID 171139923) is N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide is Cc1c(NC(=O)CN(CC=Cc2ccccc2)CCO)cnn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide?
The InChIKey is GPFAFVZZXYRXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-15-17(13-19-21(15)2)20-18(24)14-22(11-12-23)10-6-9-16-7-4-3-5-8-16/h3-9,13,23H,10-12,14H2,1-2H3,(H,20,24).
What are the key properties of N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide?
N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide has a molecular weight of 328.42 g/mol, XLogP of 1.67, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-4-yl)-2-[2-hydroxyethyl(3-phenylprop-2-enyl)amino]acetamide is sourced from PubChem (CID 171139923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).