N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine

C14H15BrClN3 — CID 104725455

IUPACN-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)c(-n2ccc(CNC3CC3)n2)cc1Cl
InChIInChI=1S/C14H15BrClN3/c1-9-6-12(15)14(7-13(9)16)19-5-4-11(18-19)8-17-10-2-3-10/h4-7,10,17H,2-3,8H2,1H3
InChIKeyZDLSHLNQNNSGLA-UHFFFAOYSA-N
MW340.65 g/mol
LogP3.85
Rot. Bonds4

About N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 104725455) has the molecular formula C14H15BrClN3 and a molecular weight of 340.65 g/mol. Its IUPAC name is N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID104725455
Molecular FormulaC14H15BrClN3
Molecular Weight340.65 g/mol
Exact Mass339.01
IUPAC NameN-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESCc1cc(Br)c(-n2ccc(CNC3CC3)n2)cc1Cl
InChIInChI=1S/C14H15BrClN3/c1-9-6-12(15)14(7-13(9)16)19-5-4-11(18-19)8-17-10-2-3-10/h4-7,10,17H,2-3,8H2,1H3
InChIKeyZDLSHLNQNNSGLA-UHFFFAOYSA-N
XLogP3.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.65
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 66477005
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 114254035
N-[[1-(2-bromo-5-chloro-4-methylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 104725249
N-[[4-bromo-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62487448
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 79771903
N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 116785735
N-[[4-chloro-2-(3-methylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 114854553
N-[[1-(2-bromo-4-chlorophenyl)triazol-4-yl]methyl]cyclopropanamine
CID 81271668
N-[[1-(2-bromo-5-chloro-4-methylphenyl)triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 104725463
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]propan-2-amine
CID 81271665
N-[[1-[(2,5-dichlorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 65315951

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 104725455) is N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine is Cc1cc(Br)c(-n2ccc(CNC3CC3)n2)cc1Cl.
What is the InChIKey of N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is ZDLSHLNQNNSGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3/c1-9-6-12(15)14(7-13(9)16)19-5-4-11(18-19)8-17-10-2-3-10/h4-7,10,17H,2-3,8H2,1H3.
What are the key properties of N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 340.65 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 104725455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).