N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine

C13H13FIN3 — CID 79771903

IUPACN-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2ccc(CNC3CC3)n2)c(I)c1
InChIInChI=1S/C13H13FIN3/c14-9-1-4-13(12(15)7-9)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2
InChIKeyXUAZLZHXHXJKFH-UHFFFAOYSA-N
MW357.17 g/mol
LogP2.87
Rot. Bonds4

About N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine

N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine (PubChem CID 79771903) has the molecular formula C13H13FIN3 and a molecular weight of 357.17 g/mol. Its IUPAC name is N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
PubChem CID79771903
Molecular FormulaC13H13FIN3
Molecular Weight357.17 g/mol
Exact Mass357.01
IUPAC NameN-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2ccc(CNC3CC3)n2)c(I)c1
InChIInChI=1S/C13H13FIN3/c14-9-1-4-13(12(15)7-9)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2
InChIKeyXUAZLZHXHXJKFH-UHFFFAOYSA-N
XLogP2.87
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.17
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]ethanamine
CID 79771902
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]-2-methoxyethanamine
CID 79771719
N-[[1-(2-fluoro-3-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 114254035
N-[[1-(4-fluoro-2-iodophenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 79771892
N-[[1-(2-bromo-5-chlorophenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 81272307
N-[[5-fluoro-2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]cyclopropanamine
CID 62490188
N-[[1-[2-methyl-5-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 66477005
1-(4-fluoro-2-iodophenyl)pyrazol-3-amine
CID 102942946
N-[[1-[(3,5-difluorophenyl)methyl]pyrazol-3-yl]methyl]cyclopropanamine
CID 105409582
N-[[1-(2-bromo-5-chloro-4-methylphenyl)pyrazol-3-yl]methyl]cyclopropanamine
CID 104725455
N-[[5-fluoro-2-(1,2,4-triazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43314018
N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 116785735

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine (CID 79771903) is N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine is Fc1ccc(-n2ccc(CNC3CC3)n2)c(I)c1.
What is the InChIKey of N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
The InChIKey is XUAZLZHXHXJKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FIN3/c14-9-1-4-13(12(15)7-9)18-6-5-11(17-18)8-16-10-2-3-10/h1,4-7,10,16H,2-3,8H2.
What are the key properties of N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine?
N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine has a molecular weight of 357.17 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluoro-2-iodophenyl)pyrazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 79771903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).