[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate

C16H19N3O3 — CID 55425881

IUPAC[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O3/c1-3-18(4-2)15(20)12-22-16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3
InChIKeyBAJUPAXKKXJJHF-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.90
Rot. Bonds6

About [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate

[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate (PubChem CID 55425881) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
PubChem CID55425881
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
SMILESCCN(CC)C(=O)COC(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H19N3O3/c1-3-18(4-2)15(20)12-22-16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3
InChIKeyBAJUPAXKKXJJHF-UHFFFAOYSA-N
XLogP1.90
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-oxopropyl 1-phenylpyrazole-4-carboxylate
CID 55425880
ethyl 2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetate
CID 78901864
N-(2-aminoethyl)-N-ethyl-1-phenylpyrazole-4-carboxamide
CID 61348348
2-[ethyl-(1-phenylpyrazole-4-carbonyl)amino]acetic acid
CID 61022217
[2-(5-ethylthiophen-2-yl)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate
CID 18169782
N-ethyl-N-(3-hydroxypropyl)-1-phenylpyrazole-4-carboxamide
CID 115771673
1-(4-ethoxycarbonylphenyl)pyrazole-4-carboxylic acid
CID 82365495
[2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 18127668
1-(1-phenylpyrazol-4-yl)butan-1-one
CID 43161927
pyridin-3-ylmethyl 1-phenylpyrazole-4-carboxylate
CID 75485194
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 1-phenylpyrazole-4-carboxylate
CID 18166388
[2-[[2-(diethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8644229

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate?
The IUPAC name of [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate (CID 55425881) is [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate is CCN(CC)C(=O)COC(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate?
The InChIKey is BAJUPAXKKXJJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-3-18(4-2)15(20)12-22-16(21)13-10-17-19(11-13)14-8-6-5-7-9-14/h5-11H,3-4,12H2,1-2H3.
What are the key properties of [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate?
[2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate has a molecular weight of 301.35 g/mol, XLogP of 1.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl] 1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 55425881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).