ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate

C15H15BrFN3O2 — CID 122508760

IUPACethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Br)c2)cc1NC1CC1F
InChIInChI=1S/C15H15BrFN3O2/c1-2-22-15(21)14-13(18-12-7-11(12)17)8-20(19-14)10-5-3-4-9(16)6-10/h3-6,8,11-12,18H,2,7H2,1H3
InChIKeyLWKAFGMSPPMCSC-UHFFFAOYSA-N
MW368.21 g/mol
LogP3.33
Rot. Bonds5

About ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate

ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate (PubChem CID 122508760) has the molecular formula C15H15BrFN3O2 and a molecular weight of 368.21 g/mol. Its IUPAC name is ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate
PubChem CID122508760
Molecular FormulaC15H15BrFN3O2
Molecular Weight368.21 g/mol
Exact Mass367.03
IUPAC Nameethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate
SMILESCCOC(=O)c1nn(-c2cccc(Br)c2)cc1NC1CC1F
InChIInChI=1S/C15H15BrFN3O2/c1-2-22-15(21)14-13(18-12-7-11(12)17)8-20(19-14)10-5-3-4-9(16)6-10/h3-6,8,11-12,18H,2,7H2,1H3
InChIKeyLWKAFGMSPPMCSC-UHFFFAOYSA-N
XLogP3.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.21
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 1-(3-bromophenyl)-4-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]pyrazole-3-carboxylate
CID 122522230
ethyl 1-(3-bromophenyl)-4-(cyclopropanecarbonylamino)pyrazole-3-carboxylate
CID 122522189
ethyl 1-(3-bromophenyl)-4-(cyclobutanecarbonylamino)pyrazole-3-carboxylate
CID 122522214
ethyl 1-(3-bromophenyl)-5-ethyl-4-oxopyridazine-3-carboxylate
CID 63952233
ethyl 1-(3-bromophenyl)-4-(1-methylpyrazol-4-yl)pyrazole-3-carboxylate
CID 122522198
ethyl 4-bromo-1-(3-fluorophenyl)pyrazole-3-carboxylate
CID 162639246
ethyl 4-bromo-1-(3-chlorophenyl)pyrazole-3-carboxylate
CID 162639245
ethyl 4-bromo-1-(3,4-difluorophenyl)pyrazole-3-carboxylate
CID 89464890
1-(3-bromophenyl)-4-(carbamoylamino)pyrazole-3-carboxamide
CID 11313329
ethyl 1-(3-bromophenyl)-4-ethoxy-6-oxopyridazine-3-carboxylate
CID 7386784
ethyl 1-(3-bromophenyl)-4-methyl-5-phenylpyrazole-3-carboxylate
CID 52951025
ethyl 1-(3-bromophenyl)-4-methoxy-6-oxopyridazine-3-carboxylate
CID 7386837

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate?
The IUPAC name of ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate (CID 122508760) is ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate is CCOC(=O)c1nn(-c2cccc(Br)c2)cc1NC1CC1F.
What is the InChIKey of ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate?
The InChIKey is LWKAFGMSPPMCSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFN3O2/c1-2-22-15(21)14-13(18-12-7-11(12)17)8-20(19-14)10-5-3-4-9(16)6-10/h3-6,8,11-12,18H,2,7H2,1H3.
What are the key properties of ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate?
ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate has a molecular weight of 368.21 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-bromophenyl)-4-[(2-fluorocyclopropyl)amino]pyrazole-3-carboxylate is sourced from PubChem (CID 122508760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).