3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide

C13H14BrFN4O — CID 75393027

IUPAC3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C13H14BrFN4O/c14-11-2-1-10(15)7-9(11)8-17-13-4-6-19(18-13)5-3-12(16)20/h1-2,4,6-7H,3,5,8H2,(H2,16,20)(H,17,18)
InChIKeyFMEMAXSPEFHNFR-UHFFFAOYSA-N
MW341.18 g/mol
LogP2.27
Rot. Bonds6

About 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide

3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide (PubChem CID 75393027) has the molecular formula C13H14BrFN4O and a molecular weight of 341.18 g/mol. Its IUPAC name is 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
PubChem CID75393027
Molecular FormulaC13H14BrFN4O
Molecular Weight341.18 g/mol
Exact Mass340.03
IUPAC Name3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NCc2cc(F)ccc2Br)n1
InChIInChI=1S/C13H14BrFN4O/c14-11-2-1-10(15)7-9(11)8-17-13-4-6-19(18-13)5-3-12(16)20/h1-2,4,6-7H,3,5,8H2,(H2,16,20)(H,17,18)
InChIKeyFMEMAXSPEFHNFR-UHFFFAOYSA-N
XLogP2.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.18
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide
CID 71914470
3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
CID 75524673
2-[[(1-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 114251895
3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
CID 115885206
6-bromo-N-[(2-bromo-5-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 106193594
N-[(5-amino-2-bromophenyl)methyl]-1-methylpyrazol-3-amine
CID 103568674
N-(3-amino-3-oxopropyl)-3-(2-bromo-5-fluorophenyl)propanamide
CID 86788556
(2-bromo-5-fluorophenyl)methyl carbamate
CID 150503608
2-[3-[(2-bromo-5-fluorophenyl)methylamino]phenoxy]acetamide
CID 103866111
N-[(2-chloro-5-fluorophenyl)methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 122150076
(2-bromo-5-fluorophenyl)methyl 2-(3-aminopyrazol-1-yl)acetate
CID 62111918
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide (CID 75393027) is 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(NCc2cc(F)ccc2Br)n1.
What is the InChIKey of 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide?
The InChIKey is FMEMAXSPEFHNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrFN4O/c14-11-2-1-10(15)7-9(11)8-17-13-4-6-19(18-13)5-3-12(16)20/h1-2,4,6-7H,3,5,8H2,(H2,16,20)(H,17,18).
What are the key properties of 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide?
3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide has a molecular weight of 341.18 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 75393027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).