N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

C14H14BrF2N3 — CID 66440309

IUPACN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)c1c(CNC2CC2)cnn1-c1ccccc1Br
InChIInChI=1S/C14H14BrF2N3/c15-11-3-1-2-4-12(11)20-13(14(16)17)9(8-19-20)7-18-10-5-6-10/h1-4,8,10,14,18H,5-7H2
InChIKeyBAQAYOSUTKOICK-UHFFFAOYSA-N
MW342.19 g/mol
LogP3.82
Rot. Bonds5

About N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440309) has the molecular formula C14H14BrF2N3 and a molecular weight of 342.19 g/mol. Its IUPAC name is N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440309
Molecular FormulaC14H14BrF2N3
Molecular Weight342.19 g/mol
Exact Mass341.03
IUPAC NameN-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFC(F)c1c(CNC2CC2)cnn1-c1ccccc1Br
InChIInChI=1S/C14H14BrF2N3/c15-11-3-1-2-4-12(11)20-13(14(16)17)9(8-19-20)7-18-10-5-6-10/h1-4,8,10,14,18H,5-7H2
InChIKeyBAQAYOSUTKOICK-UHFFFAOYSA-N
XLogP3.82
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442122
N-[[5-(difluoromethyl)-1-(3-methoxyphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114798945
N-[[2-(2-bromophenyl)-1,2,4-triazol-3-yl]methyl]cyclopropanamine
CID 107447528
N-[[1-(2,4-dichlorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440263
N-[(2-indazol-1-ylphenyl)methyl]cyclopropanamine
CID 62141701
N-[[1-(2-fluorophenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
CID 66441277
N-[[5-(difluoromethyl)-1-(2-methylsulfonylethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441221
[5-bromo-1-(2-bromophenyl)pyrazol-4-yl]methanol
CID 77174643
N-[[5-(difluoromethyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440673
N-[[5-(difluoromethyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66440265
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
N-[2-[1-(2-bromophenyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79224432

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 66440309) is N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is FC(F)c1c(CNC2CC2)cnn1-c1ccccc1Br.
What is the InChIKey of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is BAQAYOSUTKOICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2N3/c15-11-3-1-2-4-12(11)20-13(14(16)17)9(8-19-20)7-18-10-5-6-10/h1-4,8,10,14,18H,5-7H2.
What are the key properties of N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 342.19 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromophenyl)-5-(difluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).