[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

C20H25N3O4 — CID 155944583

IUPAC[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)C1CC1
InChIInChI=1S/C20H25N3O4/c1-4-22(15-9-10-15)18(25)12-27-20(26)19-17(24)11-23(21-19)16-7-5-14(6-8-16)13(2)3/h5-8,11,13,15,24H,4,9-10,12H2,1-3H3
InChIKeyIBSZTPHDCQFDGV-UHFFFAOYSA-N
MW371.44 g/mol
LogP2.87
Rot. Bonds7

About [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate

[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate (PubChem CID 155944583) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
PubChem CID155944583
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate
SMILESCCN(C(=O)COC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)C1CC1
InChIInChI=1S/C20H25N3O4/c1-4-22(15-9-10-15)18(25)12-27-20(26)19-17(24)11-23(21-19)16-7-5-14(6-8-16)13(2)3/h5-8,11,13,15,24H,4,9-10,12H2,1-3H3
InChIKeyIBSZTPHDCQFDGV-UHFFFAOYSA-N
XLogP2.87
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-hydroxy-1-phenyl-1H-pyrazole-3-carboxylate
CID 239538
Ethyl 1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxypyrazole-3-carboxylate
CID 705920
Methyl 4-hydroxy-1-(4-phenylphenyl)pyrazole-3-carboxylate
CID 705937
Methyl 1-(1-acetyl-2,3-dihydroindol-5-yl)-4-hydroxypyrazole-3-carboxylate
CID 705951
Ethyl 4-hydroxy-1-(4-methylphenyl)-1H-pyrazole-3-carboxylate
CID 730283
Ethyl 4-hydroxy-1-naphthalen-2-ylpyrazole-3-carboxylate
CID 1228655
[2-(4-Methylanilino)-2-oxoethyl] 1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylate
CID 2110947
[1-(N-ethylanilino)-1-oxopropan-2-yl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 16274755
ethyl 1-(3,4-dimethylphenyl)-4-hydroxy-1H-pyrazole-3-carboxylate
CID 730291
[2-(2,3-Dimethylanilino)-2-oxoethyl] 4-hydroxy-1-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 4856886
Ethyl 1-(2,3-dimethyl-5-oxo-1-phenyl(3-pyrazolin-4-yl))-4-hydroxypyrazole-3-ca rboxylate
CID 706004
ethyl 4-hydroxy-1-(3-(trifluoromethyl)phenyl)-1H-pyrazole-3-carboxylate
CID 711212

Frequently Asked Questions

What is the IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The IUPAC name of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate (CID 155944583) is [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate is CCN(C(=O)COC(=O)c1nn(-c2ccc(C(C)C)cc2)cc1O)C1CC1.
What is the InChIKey of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
The InChIKey is IBSZTPHDCQFDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-4-22(15-9-10-15)18(25)12-27-20(26)19-17(24)11-23(21-19)16-7-5-14(6-8-16)13(2)3/h5-8,11,13,15,24H,4,9-10,12H2,1-3H3.
What are the key properties of [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate?
[2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate has a molecular weight of 371.44 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclopropyl(ethyl)amino]-2-oxoethyl] 4-hydroxy-1-(4-propan-2-ylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 155944583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).