1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine

C12H11F4N3 — CID 122168230

IUPAC1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
SMILESFc1cc(F)cc(CNCc2ccnn2C(F)F)c1
InChIInChI=1S/C12H11F4N3/c13-9-3-8(4-10(14)5-9)6-17-7-11-1-2-18-19(11)12(15)16/h1-5,12,17H,6-7H2
InChIKeyGBPAMALPFJGUPR-UHFFFAOYSA-N
MW273.23 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine

1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine (PubChem CID 122168230) has the molecular formula C12H11F4N3 and a molecular weight of 273.23 g/mol. Its IUPAC name is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
PubChem CID122168230
Molecular FormulaC12H11F4N3
Molecular Weight273.23 g/mol
Exact Mass273.09
IUPAC Name1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine
SMILESFc1cc(F)cc(CNCc2ccnn2C(F)F)c1
InChIInChI=1S/C12H11F4N3/c13-9-3-8(4-10(14)5-9)6-17-7-11-1-2-18-19(11)12(15)16/h1-5,12,17H,6-7H2
InChIKeyGBPAMALPFJGUPR-UHFFFAOYSA-N
XLogP2.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.23
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine;hydrochloride
CID 126966920
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(3-methoxyphenyl)methanamine
CID 122168299
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]methanamine
CID 122167209
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115282762
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 122167328
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 122166067
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(2-methoxyphenyl)methanamine;hydrochloride
CID 126967408
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126964517
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 122166065
N-[(3,5-difluorophenyl)methyl]-1-phenylmethanamine
CID 60752788

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine?
The IUPAC name of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine (CID 122168230) is 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine.
What is the SMILES notation for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine?
The canonical SMILES for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine is Fc1cc(F)cc(CNCc2ccnn2C(F)F)c1.
What is the InChIKey of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine?
The InChIKey is GBPAMALPFJGUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3/c13-9-3-8(4-10(14)5-9)6-17-7-11-1-2-18-19(11)12(15)16/h1-5,12,17H,6-7H2.
What are the key properties of 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine?
1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine has a molecular weight of 273.23 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethyl)pyrazol-3-yl]-N-[(3,5-difluorophenyl)methyl]methanamine is sourced from PubChem (CID 122168230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).