ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate

C23H24FN3O4 — CID 55879747

IUPACethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1cccc(OC)c1
InChIInChI=1S/C23H24FN3O4/c1-4-31-22(28)13-21(16-6-5-7-19(12-16)30-3)26-23(29)20-14-25-27(15(20)2)18-10-8-17(24)9-11-18/h5-12,14,21H,4,13H2,1-3H3,(H,26,29)
InChIKeyHUEBMZHYYQAIOQ-UHFFFAOYSA-N
MW425.46 g/mol
LogP3.75
Rot. Bonds8

About ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate

ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate (PubChem CID 55879747) has the molecular formula C23H24FN3O4 and a molecular weight of 425.46 g/mol. Its IUPAC name is ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
PubChem CID55879747
Molecular FormulaC23H24FN3O4
Molecular Weight425.46 g/mol
Exact Mass425.18
IUPAC Nameethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate
SMILESCCOC(=O)CC(NC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1cccc(OC)c1
InChIInChI=1S/C23H24FN3O4/c1-4-31-22(28)13-21(16-6-5-7-19(12-16)30-3)26-23(29)20-14-25-27(15(20)2)18-10-8-17(24)9-11-18/h5-12,14,21H,4,13H2,1-3H3,(H,26,29)
InChIKeyHUEBMZHYYQAIOQ-UHFFFAOYSA-N
XLogP3.75
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[4-[[1-(4-fluorophenyl)-3-methoxy-3-oxopropyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55995302
methyl 3-(3-bromophenyl)-3-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoate
CID 60568769
ethyl 3-[(2-iodo-3-methylbenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55879116
ethyl 3-(3-methoxyphenyl)-3-[(4-pyrrol-1-ylbenzoyl)amino]propanoate
CID 55879744
ethyl 3-[(4-ethoxybenzoyl)amino]-3-(3-methoxyphenyl)propanoate
CID 55880256
(2R)-2-[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]-3-(3-methoxyphenyl)-3-oxopropanenitrile
CID 98449848
ethyl 3-(ethylamino)-3-(3-methoxyphenyl)propanoate
CID 65233774
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733
N-[2-(diethylamino)-2-phenylethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46578214
ethyl (3S)-3-(3-fluorophenyl)-3-(1H-indole-3-carbonylamino)propanoate
CID 163773254
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
N-(2-amino-2-methylpropyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 119627135

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The IUPAC name of ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate (CID 55879747) is ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate is CCOC(=O)CC(NC(=O)c1cnn(-c2ccc(F)cc2)c1C)c1cccc(OC)c1.
What is the InChIKey of ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
The InChIKey is HUEBMZHYYQAIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O4/c1-4-31-22(28)13-21(16-6-5-7-19(12-16)30-3)26-23(29)20-14-25-27(15(20)2)18-10-8-17(24)9-11-18/h5-12,14,21H,4,13H2,1-3H3,(H,26,29).
What are the key properties of ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate?
ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate has a molecular weight of 425.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[1-(4-fluorophenyl)-5-methylpyrazole-4-carbonyl]amino]-3-(3-methoxyphenyl)propanoate is sourced from PubChem (CID 55879747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).