1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride

C15H21ClFN3 — CID 126965807

IUPAC1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H20FN3.ClH/c1-12(2)11-19-15(7-8-18-19)10-17-9-13-3-5-14(16)6-4-13;/h3-8,12,17H,9-11H2,1-2H3;1H
InChIKeyDRIKVLINHGQUHE-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.39
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride

1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride (PubChem CID 126965807) has the molecular formula C15H21ClFN3 and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
PubChem CID126965807
Molecular FormulaC15H21ClFN3
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
SMILESCC(C)Cn1nccc1CNCc1ccc(F)cc1.Cl
InChIInChI=1S/C15H20FN3.ClH/c1-12(2)11-19-15(7-8-18-19)10-17-9-13-3-5-14(16)6-4-13;/h3-8,12,17H,9-11H2,1-2H3;1H
InChIKeyDRIKVLINHGQUHE-UHFFFAOYSA-N
XLogP3.39
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpropyl)pyrazol-3-yl]-N-[(2-propan-2-ylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126964707
N-[(1-ethylpyrazol-4-yl)methyl]-1-[2-(2-methylpropyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126964634
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(1-propan-2-ylpyrazol-3-yl)methanamine
CID 122167384
N',N'-dimethyl-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]propane-1,3-diamine;dihydrochloride
CID 126965686
1-(4-fluorophenyl)-N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]methanamine
CID 122168378
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-propan-2-yloxypropan-1-amine
CID 122166141
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine;hydrochloride
CID 126965651
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126965875
N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 122167409
1-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605027
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
4-fluoro-N-[2-(2-methylpropyl)pyrazol-3-yl]benzamide
CID 35327495

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride (CID 126965807) is 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride is CC(C)Cn1nccc1CNCc1ccc(F)cc1.Cl.
What is the InChIKey of 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The InChIKey is DRIKVLINHGQUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3.ClH/c1-12(2)11-19-15(7-8-18-19)10-17-9-13-3-5-14(16)6-4-13;/h3-8,12,17H,9-11H2,1-2H3;1H.
What are the key properties of 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride has a molecular weight of 297.81 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[[2-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 126965807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).