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

C12H12ClF4N3 — CID 126966346

IUPAC1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(F)c(CNCc2ccn(C(F)F)n2)c1
InChIInChI=1S/C12H11F4N3.ClH/c13-9-1-2-11(14)8(5-9)6-17-7-10-3-4-19(18-10)12(15)16;/h1-5,12,17H,6-7H2;1H
InChIKeyJDZRYMQIDYYJBJ-UHFFFAOYSA-N
MW309.69 g/mol
LogP3.27
Rot. Bonds5

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

1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride (PubChem CID 126966346) has the molecular formula C12H12ClF4N3 and a molecular weight of 309.69 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride
PubChem CID126966346
Molecular FormulaC12H12ClF4N3
Molecular Weight309.69 g/mol
Exact Mass309.07
IUPAC Name1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride
SMILESCl.Fc1ccc(F)c(CNCc2ccn(C(F)F)n2)c1
InChIInChI=1S/C12H11F4N3.ClH/c13-9-1-2-11(14)8(5-9)6-17-7-10-3-4-19(18-10)12(15)16;/h1-5,12,17H,6-7H2;1H
InChIKeyJDZRYMQIDYYJBJ-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.69
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-difluorophenyl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64687357
1-(2,5-difluorophenyl)-N-[(2-methyltetrazol-5-yl)methyl]methanamine
CID 107042414
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[[2-(difluoromethyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126966140
1-(2,5-difluorophenyl)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)methanamine
CID 63030565
N-[(5-bromo-2-fluorophenyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine
CID 78920760
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]butan-1-amine
CID 122168967
N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]-3-methylbutan-1-amine
CID 122168886
[(2,5-difluorophenyl)methylamino]methanol
CID 115228968
1-(2,5-difluorophenyl)-N-[(3-methylimidazol-4-yl)methyl]methanamine
CID 63379414
N-[(2,5-difluorophenyl)methyl]ethanamine
CID 43163700
1-(2,5-difluorophenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)methanamine
CID 106393758
2-[(2,5-difluorophenyl)methylamino]ethanethiol
CID 115223933

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride?
The IUPAC name of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride (CID 126966346) is 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride.
What is the SMILES notation for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride?
The canonical SMILES for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride is Cl.Fc1ccc(F)c(CNCc2ccn(C(F)F)n2)c1.
What is the InChIKey of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride?
The InChIKey is JDZRYMQIDYYJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F4N3.ClH/c13-9-1-2-11(14)8(5-9)6-17-7-10-3-4-19(18-10)12(15)16;/h1-5,12,17H,6-7H2;1H.
What are the key properties of 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride?
1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride has a molecular weight of 309.69 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)pyrazol-3-yl]-N-[(2,5-difluorophenyl)methyl]methanamine;hydrochloride is sourced from PubChem (CID 126966346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).