[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride

C17H17ClFN3O — CID 155977757

IUPAC[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1F.Cl
InChIInChI=1S/C17H16FN3O.ClH/c1-22-16-8-7-12(9-15(16)18)17-13(10-19)11-21(20-17)14-5-3-2-4-6-14;/h2-9,11H,10,19H2,1H3;1H
InChIKeyNOJYWFSFDLVSLY-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.57
Rot. Bonds4

About [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride

[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride (PubChem CID 155977757) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
PubChem CID155977757
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1F.Cl
InChIInChI=1S/C17H16FN3O.ClH/c1-22-16-8-7-12(9-15(16)18)17-13(10-19)11-21(20-17)14-5-3-2-4-6-14;/h2-9,11H,10,19H2,1H3;1H
InChIKeyNOJYWFSFDLVSLY-UHFFFAOYSA-N
XLogP3.57
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[1-(4-methylphenyl)-3-phenylpyrazol-4-yl]methanamine
CID 28910773
[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methyl-pyridin-2-yldiazene
CID 91897793
(5Z)-5-[[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 140627904
[3-(4-fluorophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanamine
CID 28910823
[1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanamine
CID 28910918
1-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 29087819
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
3-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 29214008
[5-(2-fluorophenyl)-2-methoxyphenyl]methanamine;hydrochloride
CID 171037272
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
2-(5-acetyl-2-methoxyphenyl)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504119

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride?
The IUPAC name of [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride (CID 155977757) is [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride.
What is the SMILES notation for [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride?
The canonical SMILES for [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride is COc1ccc(-c2nn(-c3ccccc3)cc2CN)cc1F.Cl.
What is the InChIKey of [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride?
The InChIKey is NOJYWFSFDLVSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O.ClH/c1-22-16-8-7-12(9-15(16)18)17-13(10-19)11-21(20-17)14-5-3-2-4-6-14;/h2-9,11H,10,19H2,1H3;1H.
What are the key properties of [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride?
[3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride has a molecular weight of 333.79 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methanamine;hydrochloride is sourced from PubChem (CID 155977757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).