methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate

C23H25N3O4 — CID 9277921

IUPACmethyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N[C@@H](CO)C(=O)OC)cc1
InChIInChI=1S/C23H25N3O4/c1-4-16-9-11-17(12-10-16)21-18(22(28)24-19(14-27)23(29)30-3)13-26(25-21)20-8-6-5-7-15(20)2/h5-13,19,27H,4,14H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyIPOSXDYTZHGWJX-IBGZPJMESA-N
MW407.47 g/mol
LogP2.67
Rot. Bonds7

About methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate

methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate (PubChem CID 9277921) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
PubChem CID9277921
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namemethyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
SMILESCCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N[C@@H](CO)C(=O)OC)cc1
InChIInChI=1S/C23H25N3O4/c1-4-16-9-11-17(12-10-16)21-18(22(28)24-19(14-27)23(29)30-3)13-26(25-21)20-8-6-5-7-15(20)2/h5-13,19,27H,4,14H2,1-3H3,(H,24,28)/t19-/m0/s1
InChIKeyIPOSXDYTZHGWJX-IBGZPJMESA-N
XLogP2.67
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
CID 9277967
2-[3-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]pyrazol-1-yl]acetic acid
CID 166224821
1-[4-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]piperazin-1-yl]ethanone
CID 29202211
3-(4-ethylphenyl)-N-[(4-ethyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56576170
N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]-3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 56558529
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
3-(4-ethylphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55548850
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
9-[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 139008258
propan-2-yl 2-[[3-(4-ethylphenyl)-1-phenylpyrazole-4-carbonyl]amino]acetate
CID 56551041
3-(4-ethylphenyl)-N-(1-imidazol-1-ylpropan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55965213
N-cyclopropyl-3-(4-ethylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9210094

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate (CID 9277921) is methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate is CCc1ccc(-c2nn(-c3ccccc3C)cc2C(=O)N[C@@H](CO)C(=O)OC)cc1.
What is the InChIKey of methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate?
The InChIKey is IPOSXDYTZHGWJX-IBGZPJMESA-N. The full InChI is InChI=1S/C23H25N3O4/c1-4-16-9-11-17(12-10-16)21-18(22(28)24-19(14-27)23(29)30-3)13-26(25-21)20-8-6-5-7-15(20)2/h5-13,19,27H,4,14H2,1-3H3,(H,24,28)/t19-/m0/s1.
What are the key properties of methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate?
methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate has a molecular weight of 407.47 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 9277921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).