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Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate

C16H19FN4O4 — CID 25211214

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN4O4/c1-3-25-15(23)13-8-18-21(9-10(2)22)14(13)20-16(24)19-12-6-4-5-11(17)7-12/h4-8,10,22H,3,9H2,1-2H3,(H2,19,20,24)
InChIKeyNGSQMHFHNWXHLS-UHFFFAOYSA-N
MW350.35 g/mol
LogP2.22
Rot. Bonds6

About Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate

Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate (PubChem CID 25211214) has the molecular formula C16H19FN4O4 and a molecular weight of 350.35 g/mol. Its IUPAC name is ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate.

Molecular Properties

Compound NameEthyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
PubChem CID25211214
Molecular FormulaC16H19FN4O4
Molecular Weight350.35 g/mol
Exact Mass350.14
IUPAC Nameethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C16H19FN4O4/c1-3-25-15(23)13-8-18-21(9-10(2)22)14(13)20-16(24)19-12-6-4-5-11(17)7-12/h4-8,10,22H,3,9H2,1-2H3,(H2,19,20,24)
InChIKeyNGSQMHFHNWXHLS-UHFFFAOYSA-N
XLogP2.22
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate?
The IUPAC name of Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate (CID 25211214) is ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate.
What is the SMILES notation for Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate?
The canonical SMILES for Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(C)O)c1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate?
The InChIKey is NGSQMHFHNWXHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O4/c1-3-25-15(23)13-8-18-21(9-10(2)22)14(13)20-16(24)19-12-6-4-5-11(17)7-12/h4-8,10,22H,3,9H2,1-2H3,(H2,19,20,24).
What are the key properties of Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate?
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate has a molecular weight of 350.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxypropyl)pyrazole-4-carboxylate is sourced from PubChem (CID 25211214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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