ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate

C17H21FN4O4 — CID 25211213

IUPACethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H21FN4O4/c1-3-13(23)10-22-15(14(9-19-22)16(24)26-4-2)21-17(25)20-12-7-5-6-11(18)8-12/h5-9,13,23H,3-4,10H2,1-2H3,(H2,20,21,25)
InChIKeySUOPMGJAOXTVDE-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.61
Rot. Bonds7

About ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate

ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate (PubChem CID 25211213) has the molecular formula C17H21FN4O4 and a molecular weight of 364.38 g/mol. Its IUPAC name is ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
PubChem CID25211213
Molecular FormulaC17H21FN4O4
Molecular Weight364.38 g/mol
Exact Mass364.15
IUPAC Nameethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1cccc(F)c1
InChIInChI=1S/C17H21FN4O4/c1-3-13(23)10-22-15(14(9-19-22)16(24)26-4-2)21-17(25)20-12-7-5-6-11(18)8-12/h5-9,13,23H,3-4,10H2,1-2H3,(H2,20,21,25)
InChIKeySUOPMGJAOXTVDE-UHFFFAOYSA-N
XLogP2.61
TPSA105.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate (CID 25211213) is ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CC(O)CC)c1NC(=O)Nc1cccc(F)c1.
What is the InChIKey of ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
The InChIKey is SUOPMGJAOXTVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O4/c1-3-13(23)10-22-15(14(9-19-22)16(24)26-4-2)21-17(25)20-12-7-5-6-11(18)8-12/h5-9,13,23H,3-4,10H2,1-2H3,(H2,20,21,25).
What are the key properties of ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate?
ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxybutyl)pyrazole-4-carboxylate has a molecular weight of 364.38 g/mol, XLogP of 2.61, 7 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-hydroxybutyl)pyrazole-4-carboxylate is sourced from PubChem (CID 25211213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).