1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride

C13H16ClF2N3O — CID 126967481

IUPAC1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
SMILESCOc1ccccc1CNc1cn(C(F)F)nc1C.Cl
InChIInChI=1S/C13H15F2N3O.ClH/c1-9-11(8-18(17-9)13(14)15)16-7-10-5-3-4-6-12(10)19-2;/h3-6,8,13,16H,7H2,1-2H3;1H
InChIKeyIRINECUARDFYCA-UHFFFAOYSA-N
MW303.74 g/mol
LogP3.63
Rot. Bonds5

About 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride

1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride (PubChem CID 126967481) has the molecular formula C13H16ClF2N3O and a molecular weight of 303.74 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
PubChem CID126967481
Molecular FormulaC13H16ClF2N3O
Molecular Weight303.74 g/mol
Exact Mass303.09
IUPAC Name1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
SMILESCOc1ccccc1CNc1cn(C(F)F)nc1C.Cl
InChIInChI=1S/C13H15F2N3O.ClH/c1-9-11(8-18(17-9)13(14)15)16-7-10-5-3-4-6-12(10)19-2;/h3-6,8,13,16H,7H2,1-2H3;1H
InChIKeyIRINECUARDFYCA-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.74
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxyphenyl)methyl]-3-methyl-1-(2-methylpropyl)pyrazol-4-amine
CID 122168202
1-(difluoromethyl)-N-[(3-fluorophenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride
CID 126966938
1-(difluoromethyl)-3-methyl-N-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-amine
CID 122166559
N-[(2-methoxyphenyl)methyl]-1,4-dimethylpyrazol-3-amine
CID 122168805
1-ethyl-N-[(2-methoxyphenyl)methyl]-4-methylpyrazol-3-amine;hydrochloride
CID 126966436
5-methoxy-2-[[(3-methyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 165478717
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043
N-[(2-bromo-4-methoxyphenyl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 165478730
1-(2,2-difluoroethyl)-N-[(2-methoxyphenyl)methyl]pyrazol-4-amine
CID 25247606
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358
N-[[2-(difluoromethoxy)phenyl]methyl]-2-methoxy-4-methylaniline
CID 60932232
1-[(2S)-butan-2-yl]-N-[(2-methoxyphenyl)methyl]pyrazol-3-amine
CID 124932266

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride (CID 126967481) is 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride is COc1ccccc1CNc1cn(C(F)F)nc1C.Cl.
What is the InChIKey of 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
The InChIKey is IRINECUARDFYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O.ClH/c1-9-11(8-18(17-9)13(14)15)16-7-10-5-3-4-6-12(10)19-2;/h3-6,8,13,16H,7H2,1-2H3;1H.
What are the key properties of 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride?
1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride has a molecular weight of 303.74 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(2-methoxyphenyl)methyl]-3-methylpyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126967481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).