N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide

C18H26N4O2 — CID 60587081

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
SMILESCCN(CC)CCn1cc(NC(=O)C(OC)c2ccccc2)cn1
InChIInChI=1S/C18H26N4O2/c1-4-21(5-2)11-12-22-14-16(13-19-22)20-18(23)17(24-3)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,23)
InChIKeyPSLXSWGFQAEETM-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.55
Rot. Bonds9

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide (PubChem CID 60587081) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
PubChem CID60587081
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
SMILESCCN(CC)CCn1cc(NC(=O)C(OC)c2ccccc2)cn1
InChIInChI=1S/C18H26N4O2/c1-4-21(5-2)11-12-22-14-16(13-19-22)20-18(23)17(24-3)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,23)
InChIKeyPSLXSWGFQAEETM-UHFFFAOYSA-N
XLogP2.55
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
N-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-2-hydroxy-2-phenylacetamide
CID 111432605
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
2-amino-N-(1-ethylpyrazol-4-yl)-2-phenylacetamide
CID 43543649
2-(4-chlorophenoxy)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpropanamide
CID 47927297
(E)-3-(2-cyanophenyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]prop-2-enamide
CID 51095084
2-bromo-N-[1-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55836296
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
2-methoxy-2-phenyl-N-(1H-pyrazol-4-yl)acetamide
CID 60968186

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide (CID 60587081) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide is CCN(CC)CCn1cc(NC(=O)C(OC)c2ccccc2)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide?
The InChIKey is PSLXSWGFQAEETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-4-21(5-2)11-12-22-14-16(13-19-22)20-18(23)17(24-3)15-9-7-6-8-10-15/h6-10,13-14,17H,4-5,11-12H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide has a molecular weight of 330.43 g/mol, XLogP of 2.55, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide is sourced from PubChem (CID 60587081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).