methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate

C17H20FN3O3 — CID 75389342

IUPACmethyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H20FN3O3/c1-10-15(11(2)21(3)20-10)16(22)19-14(17(23)24-4)9-12-5-7-13(18)8-6-12/h5-8,14H,9H2,1-4H3,(H,19,22)
InChIKeyUATZZXNCYLSPQP-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.69
Rot. Bonds5

About methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate

methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate (PubChem CID 75389342) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
PubChem CID75389342
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Namemethyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate
SMILESCOC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c(C)nn(C)c1C
InChIInChI=1S/C17H20FN3O3/c1-10-15(11(2)21(3)20-10)16(22)19-14(17(23)24-4)9-12-5-7-13(18)8-6-12/h5-8,14H,9H2,1-4H3,(H,19,22)
InChIKeyUATZZXNCYLSPQP-UHFFFAOYSA-N
XLogP1.69
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-fluorobenzoyl)amino]-3-phenylpropanoate
CID 531401
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659
methyl 2-[[4-[1,3-dimethyl-4-[[(1R)-1-phenylethoxy]carbonylamino]pyrazol-5-yl]benzoyl]amino]-3-(4-fluorophenyl)propanoate
CID 90426919
methyl (2R)-2-[[1-(4-fluorophenyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]-3-pyridin-4-ylpropanoate
CID 172656543
(2R)-5-methoxy-5-oxo-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]pentanoic acid
CID 107820677
methyl 3-(4-fluorophenyl)-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoate
CID 3758164
methyl (2R)-2-[(4-chloro-1H-pyrrole-2-carbonyl)amino]-3-(4-fluorophenyl)propanoate
CID 97242583
methyl (2S)-3-(4-aminophenyl)-2-[(2,6-dimethoxybenzoyl)amino]propanoate
CID 20640313
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
methyl (2R)-2-[[2-(benzylamino)acetyl]amino]-3-(4-fluorophenyl)propanoate
CID 69416606
N-[4-(aminomethyl)phenyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742269
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate (CID 75389342) is methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate is COC(=O)C(Cc1ccc(F)cc1)NC(=O)c1c(C)nn(C)c1C.
What is the InChIKey of methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
The InChIKey is UATZZXNCYLSPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-10-15(11(2)21(3)20-10)16(22)19-14(17(23)24-4)9-12-5-7-13(18)8-6-12/h5-8,14H,9H2,1-4H3,(H,19,22).
What are the key properties of methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate?
methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate has a molecular weight of 333.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-fluorophenyl)-2-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]propanoate is sourced from PubChem (CID 75389342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).