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

C15H21ClFN3 — CID 126964397

IUPAC1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
SMILESCC(C)Cn1ccc(CNCc2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H20FN3.ClH/c1-12(2)11-19-7-6-15(18-19)10-17-9-13-4-3-5-14(16)8-13;/h3-8,12,17H,9-11H2,1-2H3;1H
InChIKeyMPXIYKFDMUQMPJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.39
Rot. Bonds6

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

1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride (PubChem CID 126964397) has the molecular formula C15H21ClFN3 and a molecular weight of 297.81 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
PubChem CID126964397
Molecular FormulaC15H21ClFN3
Molecular Weight297.81 g/mol
Exact Mass297.14
IUPAC Name1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
SMILESCC(C)Cn1ccc(CNCc2cccc(F)c2)n1.Cl
InChIInChI=1S/C15H20FN3.ClH/c1-12(2)11-19-7-6-15(18-19)10-17-9-13-4-3-5-14(16)8-13;/h3-8,12,17H,9-11H2,1-2H3;1H
InChIKeyMPXIYKFDMUQMPJ-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

N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
CID 122168263
2-[[[1-(2-methylpropyl)pyrazol-3-yl]methylamino]methyl]phenol;hydrochloride
CID 126965242
N-[(3-fluorophenyl)methyl]-5-methyl-1-(2-methylpropyl)pyrazol-3-amine
CID 122168375
N-[(1-ethyl-5-fluoropyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122169186
1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
CID 143794091
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-2-phenylethanamine;hydrochloride
CID 126967715
3-[[(1-propan-2-ylpyrazol-3-yl)methylamino]methyl]phenol;hydrochloride
CID 126966507
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122166657
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1-[1-(2-methylpropyl)pyrazol-3-yl]methanamine
CID 122167168
1-(3-fluorophenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 55122035
N-[[1-[(5-fluoro-2-methylphenyl)methyl]pyrazol-3-yl]methyl]-2-methylpropan-1-amine
CID 105375458

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The IUPAC name of 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride (CID 126964397) is 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The canonical SMILES for 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride is CC(C)Cn1ccc(CNCc2cccc(F)c2)n1.Cl.
What is the InChIKey of 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
The InChIKey is MPXIYKFDMUQMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3.ClH/c1-12(2)11-19-7-6-15(18-19)10-17-9-13-4-3-5-14(16)8-13;/h3-8,12,17H,9-11H2,1-2H3;1H.
What are the key properties of 1-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride?
1-(3-fluorophenyl)-N-[[1-(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-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride is sourced from PubChem (CID 126964397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).