propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate

C23H25N3O3 — CID 56551041

IUPACpropan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C23H25N3O3/c1-4-17-10-12-18(13-11-17)22-20(23(28)24-14-21(27)29-16(2)3)15-26(25-22)19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)
InChIKeyLGNPRGVAZNLEEA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.78
Rot. Bonds7

About propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate

propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate (PubChem CID 56551041) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
PubChem CID56551041
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namepropan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
SMILESCCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1
InChIInChI=1S/C23H25N3O3/c1-4-17-10-12-18(13-11-17)22-20(23(28)24-14-21(27)29-16(2)3)15-26(25-22)19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,24,28)
InChIKeyLGNPRGVAZNLEEA-UHFFFAOYSA-N
XLogP3.78
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 60516734
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094
propan-2-yl 2-[[1-(4-fluorophenyl)-3-(3-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56543733
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
1-(4-methylphenyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 30604207
N-benzyl-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 1340356
N-[2-(dimethylamino)-3-methylbutyl]-1,3-diphenylpyrazole-4-carboxamide
CID 24650106
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323
3-(4-ethylphenyl)-N-[2-(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 56578122
3-(4-ethylphenyl)-N-methyl-N-[2-(methylamino)-2-oxoethyl]-1-phenylpyrazole-4-carboxamide
CID 39969631

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate?
The IUPAC name of propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate (CID 56551041) is propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate.
What is the SMILES notation for propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate?
The canonical SMILES for propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate is CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)OC(C)C)cc1.
What is the InChIKey of propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate?
The InChIKey is LGNPRGVAZNLEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-4-17-10-12-18(13-11-17)22-20(23(28)24-14-21(27)29-16(2)3)15-26(25-22)19-8-6-5-7-9-19/h5-13,15-16H,4,14H2,1-3H3,(H,24,28).
What are the key properties of propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate?
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate has a molecular weight of 391.47 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate is sourced from PubChem (CID 56551041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).