N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

C14H15BrFN3 — CID 82973521

IUPACN-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C14H15BrFN3/c1-19-8-9(7-17-11-3-4-11)14(18-19)12-5-2-10(15)6-13(12)16/h2,5-6,8,11,17H,3-4,7H2,1H3
InChIKeyNOCYLRMZHQUOIP-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.24
Rot. Bonds4

About N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine

N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82973521) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82973521
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC NameN-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCn1cc(CNC2CC2)c(-c2ccc(Br)cc2F)n1
InChIInChI=1S/C14H15BrFN3/c1-19-8-9(7-17-11-3-4-11)14(18-19)12-5-2-10(15)6-13(12)16/h2,5-6,8,11,17H,3-4,7H2,1H3
InChIKeyNOCYLRMZHQUOIP-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(2-bromophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79485221
N-[[3-(5-bromo-1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79491354
N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 82973618
N-[[1-methyl-3-(2-methylphenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485385
N-[[3-(5-bromofuran-2-yl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 104654150
N-[[3-(3,5-dimethylphenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 79484471
N-[[3-(2,4-difluorophenyl)-1-methylpyrazol-4-yl]methyl]ethanamine
CID 79485450
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 43754680
N-[[1-methyl-3-(3-methylthiophen-2-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 79485222
N-[(5-bromo-2-fluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070645
4-[4-[(cyclopropylamino)methyl]-1-methylpyrazol-3-yl]benzonitrile
CID 79485147
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine (CID 82973521) is N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is Cn1cc(CNC2CC2)c(-c2ccc(Br)cc2F)n1.
What is the InChIKey of N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is NOCYLRMZHQUOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c1-19-8-9(7-17-11-3-4-11)14(18-19)12-5-2-10(15)6-13(12)16/h2,5-6,8,11,17H,3-4,7H2,1H3.
What are the key properties of N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 324.20 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82973521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).