N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine

C17H15BrFN3 — CID 6625394

IUPACN-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cn[nH]c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H15BrFN3/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12/h1-8,11,20H,9-10H2,(H,21,22)
InChIKeyMYMKEKHRGTWFKV-UHFFFAOYSA-N
MW360.23 g/mol
LogP4.27
Rot. Bonds5

About N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine

N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 6625394) has the molecular formula C17H15BrFN3 and a molecular weight of 360.23 g/mol. Its IUPAC name is N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
PubChem CID6625394
Molecular FormulaC17H15BrFN3
Molecular Weight360.23 g/mol
Exact Mass359.04
IUPAC NameN-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2cn[nH]c2-c2ccc(Br)cc2)c1
InChIInChI=1S/C17H15BrFN3/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12/h1-8,11,20H,9-10H2,(H,21,22)
InChIKeyMYMKEKHRGTWFKV-UHFFFAOYSA-N
XLogP4.27
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]ethanamine
CID 23005780
N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylmethanamine
CID 60662763
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 4590247
N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(2-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47030685
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
CID 143699505
1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 51089422
(1S)-1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 94800566
N-[(2,3-difluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 43658821
N-[(4-bromo-3-fluorophenyl)methyl]-1-(3-fluorophenyl)methanamine
CID 78981347
2-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]-1-(1-methylpyrazol-4-yl)ethanol
CID 167832284
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
4-[[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methylamino]methyl]pyrrolidin-2-one
CID 146145259

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine (CID 6625394) is N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2cn[nH]c2-c2ccc(Br)cc2)c1.
What is the InChIKey of N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is MYMKEKHRGTWFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN3/c18-15-6-4-13(5-7-15)17-14(11-21-22-17)10-20-9-12-2-1-3-16(19)8-12/h1-8,11,20H,9-10H2,(H,21,22).
What are the key properties of N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine?
N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 360.23 g/mol, XLogP of 4.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromophenyl)-1H-pyrazol-4-yl]methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 6625394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).