N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

C13H13BrFN3 — CID 82973618

IUPACN-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1-c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H13BrFN3/c14-9-1-4-11(12(15)5-9)13-8(7-17-18-13)6-16-10-2-3-10/h1,4-5,7,10,16H,2-3,6H2,(H,17,18)
InChIKeyDPBNZLFQSYMMHL-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.23
Rot. Bonds4

About N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine

N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 82973618) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID82973618
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC NameN-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1cc(Br)ccc1-c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H13BrFN3/c14-9-1-4-11(12(15)5-9)13-8(7-17-18-13)6-16-10-2-3-10/h1,4-5,7,10,16H,2-3,6H2,(H,17,18)
InChIKeyDPBNZLFQSYMMHL-UHFFFAOYSA-N
XLogP3.23
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[5-(4-fluoro-2-methylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485179
N-[[5-(2-bromophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485095
N-[[3-(4-bromo-2-fluorophenyl)-1-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 82973521
N-[[5-(2,5-dimethylphenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 79485255
N-[(5-naphthalen-1-yl-1H-pyrazol-4-yl)methyl]cyclopropanamine
CID 79490409
N-[[5-(5-fluoro-2-pyridinyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine
CID 83129453
1-benzyl-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]pyrrolidin-3-amine
CID 45200383
4-[[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylamino]cyclohexan-1-ol;hydrochloride
CID 56827879
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
N-[(4-bromo-2-fluorophenyl)methyl]-N'-cyclopropylethane-1,2-diamine
CID 115619711
N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[(5-bromo-2-fluorophenyl)methyl]-4-methylcycloheptan-1-amine
CID 65079881

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine (CID 82973618) is N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is Fc1cc(Br)ccc1-c1[nH]ncc1CNC1CC1.
What is the InChIKey of N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is DPBNZLFQSYMMHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-9-1-4-11(12(15)5-9)13-8(7-17-18-13)6-16-10-2-3-10/h1,4-5,7,10,16H,2-3,6H2,(H,17,18).
What are the key properties of N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine?
N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 310.17 g/mol, XLogP of 3.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-bromo-2-fluorophenyl)-1H-pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 82973618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).