[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride

C11H13ClFN3 — CID 171393057

IUPAC[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
SMILESCl.Cn1nccc1-c1cc(CN)ccc1F
InChIInChI=1S/C11H12FN3.ClH/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12;/h2-6H,7,13H2,1H3;1H
InChIKeyZCDINRCCSCRKTF-UHFFFAOYSA-N
MW241.70 g/mol
LogP2.11
Rot. Bonds2

About [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride

[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride (PubChem CID 171393057) has the molecular formula C11H13ClFN3 and a molecular weight of 241.70 g/mol. Its IUPAC name is [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
PubChem CID171393057
Molecular FormulaC11H13ClFN3
Molecular Weight241.70 g/mol
Exact Mass241.08
IUPAC Name[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride
SMILESCl.Cn1nccc1-c1cc(CN)ccc1F
InChIInChI=1S/C11H12FN3.ClH/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12;/h2-6H,7,13H2,1H3;1H
InChIKeyZCDINRCCSCRKTF-UHFFFAOYSA-N
XLogP2.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The IUPAC name of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride (CID 171393057) is [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride is Cl.Cn1nccc1-c1cc(CN)ccc1F.
What is the InChIKey of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
The InChIKey is ZCDINRCCSCRKTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3.ClH/c1-15-11(4-5-14-15)9-6-8(7-13)2-3-10(9)12;/h2-6H,7,13H2,1H3;1H.
What are the key properties of [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride?
[4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride has a molecular weight of 241.70 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-3-(2-methylpyrazol-3-yl)phenyl]methanamine;hydrochloride is sourced from PubChem (CID 171393057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).