N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine

C13H14FN3 — CID 106533112

IUPACN-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(-n2cccn2)c1
InChIInChI=1S/C13H14FN3/c14-11-6-10(9-15-12-2-3-12)7-13(8-11)17-5-1-4-16-17/h1,4-8,12,15H,2-3,9H2
InChIKeyHSHTYMANXSMUKQ-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.26
Rot. Bonds4

About N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine

N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine (PubChem CID 106533112) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
PubChem CID106533112
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine
SMILESFc1cc(CNC2CC2)cc(-n2cccn2)c1
InChIInChI=1S/C13H14FN3/c14-11-6-10(9-15-12-2-3-12)7-13(8-11)17-5-1-4-16-17/h1,4-8,12,15H,2-3,9H2
InChIKeyHSHTYMANXSMUKQ-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-fluoro-5-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533126
1-[3-(chloromethyl)-5-fluorophenyl]pyrazole
CID 106530554
N-[(3-pyrazol-1-ylphenyl)methyl]cyclohexanamine
CID 62488878
N-[[3-(2-ethylimidazol-1-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533180
N-[[3-(2,6-dimethylthiomorpholin-4-yl)-5-fluorophenyl]methyl]cyclopropanamine
CID 106532828
N-[[3-fluoro-5-(4,5,6,7-tetrahydrobenzimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 106533217
1,1-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]thian-4-amine
CID 43778672
N-[(3,5-difluorophenyl)methyl]piperidin-4-amine
CID 68801078
N-[[3-fluoro-5-(2,3,5-trimethylpiperidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533057
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270957
N-[[3-fluoro-5-(3-propylpyrrolidin-1-yl)phenyl]methyl]cyclopropanamine
CID 106533016
N-[(3-bromo-5-fluorophenyl)methyl]-4-chlorocyclohexan-1-amine
CID 79708463

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine (CID 106533112) is N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine is Fc1cc(CNC2CC2)cc(-n2cccn2)c1.
What is the InChIKey of N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
The InChIKey is HSHTYMANXSMUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-6-10(9-15-12-2-3-12)7-13(8-11)17-5-1-4-16-17/h1,4-8,12,15H,2-3,9H2.
What are the key properties of N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine?
N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine has a molecular weight of 231.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluoro-5-pyrazol-1-ylphenyl)methyl]cyclopropanamine is sourced from PubChem (CID 106533112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).