[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine

C11H12FN3 — CID 115093092

IUPAC[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESNCc1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C11H12FN3/c12-9-3-1-8(2-4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyIQHFJIQOJIRTQR-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.60
Rot. Bonds3

About [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine

[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine (PubChem CID 115093092) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine
PubChem CID115093092
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine
SMILESNCc1cc(Cc2ccc(F)cc2)[nH]n1
InChIInChI=1S/C11H12FN3/c12-9-3-1-8(2-4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15)
InChIKeyIQHFJIQOJIRTQR-UHFFFAOYSA-N
XLogP1.60
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[5-[(3-bromophenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115092952
1-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]ethanone
CID 115093128
[5-[(2-methylphenyl)methyl]-1H-pyrazol-3-yl]methanamine
CID 115093018
(5-methyl-1H-pyrazol-3-yl)methanamine;hydrochloride
CID 12983921
2-[5-[(4-methoxyphenyl)methyl]-1H-pyrazol-3-yl]ethanol
CID 123143670
4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]-4-hydroxy-2-oxobut-3-enoic acid
CID 69138084
3-ethyl-4-[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]pyridine
CID 69314743
5-ethyl-3-[(4-fluorophenyl)methyl]-1H-pyridazin-6-one
CID 141196289
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
ethane;(4-fluorophenyl)methanamine
CID 142071105
5-[(4-fluorophenyl)methyl]-N-pyridin-2-yl-1H-pyrazole-3-carboxamide
CID 154693101
4-[2-[3-[2-(4-hydroxyphenyl)ethyl]-1H-pyrazol-5-yl]ethyl]phenol
CID 14578498

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine (CID 115093092) is [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine is NCc1cc(Cc2ccc(F)cc2)[nH]n1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
The InChIKey is IQHFJIQOJIRTQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c12-9-3-1-8(2-4-9)5-10-6-11(7-13)15-14-10/h1-4,6H,5,7,13H2,(H,14,15).
What are the key properties of [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine?
[5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine has a molecular weight of 205.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-1H-pyrazol-3-yl]methanamine is sourced from PubChem (CID 115093092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).