N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride

C13H16ClF2N3O — CID 126967408

IUPACN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1ccnn1C(F)F.Cl
InChIInChI=1S/C13H15F2N3O.ClH/c1-19-12-5-3-2-4-10(12)8-16-9-11-6-7-17-18(11)13(14)15;/h2-7,13,16H,8-9H2,1H3;1H
InChIKeyRZFYSYAFXMJKMC-UHFFFAOYSA-N
MW303.74 g/mol
LogP3.00
Rot. Bonds6

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

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (PubChem CID 126967408) has the molecular formula C13H16ClF2N3O and a molecular weight of 303.74 g/mol. Its IUPAC name is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.

Molecular Properties

Compound NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
PubChem CID126967408
Molecular FormulaC13H16ClF2N3O
Molecular Weight303.74 g/mol
Exact Mass303.09
IUPAC NameN-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
SMILESCOc1ccccc1CNCc1ccnn1C(F)F.Cl
InChIInChI=1S/C13H15F2N3O.ClH/c1-19-12-5-3-2-4-10(12)8-16-9-11-6-7-17-18(11)13(14)15;/h2-7,13,16H,8-9H2,1H3;1H
InChIKeyRZFYSYAFXMJKMC-UHFFFAOYSA-N
XLogP3.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166067
1-(2-methoxyphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 103605023
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
1-(2,3-dimethoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625007
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]methanamine;hydrochloride
CID 17292771
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
CID 122168230
2,2-diethoxy-N-[(2-methoxyphenyl)methyl]ethanamine
CID 78910443
N-[(2-methoxyphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine;hydrobromide
CID 75531292
1-(2-cyclopropylphenyl)-N-[(2-methoxyphenyl)methyl]methanamine
CID 79889709
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126967481

Frequently Asked Questions

What is the IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The IUPAC name of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride (CID 126967408) is N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride.
What is the SMILES notation for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The canonical SMILES for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is COc1ccccc1CNCc1ccnn1C(F)F.Cl.
What is the InChIKey of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
The InChIKey is RZFYSYAFXMJKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O.ClH/c1-19-12-5-3-2-4-10(12)8-16-9-11-6-7-17-18(11)13(14)15;/h2-7,13,16H,8-9H2,1H3;1H.
What are the key properties of N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride?
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride has a molecular weight of 303.74 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride is sourced from PubChem (CID 126967408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).