N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine

C13H14F3N3 — CID 122168263

IUPACN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccn(CC(F)F)n2)c1
InChIInChI=1S/C13H14F3N3/c14-11-3-1-2-10(6-11)7-17-8-12-4-5-19(18-12)9-13(15)16/h1-6,13,17H,7-9H2
InChIKeyVYAZOPORIQRIDH-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.58
Rot. Bonds6

About N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine

N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine (PubChem CID 122168263) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
PubChem CID122168263
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine
SMILESFc1cccc(CNCc2ccn(CC(F)F)n2)c1
InChIInChI=1S/C13H14F3N3/c14-11-3-1-2-10(6-11)7-17-8-12-4-5-19(18-12)9-13(15)16/h1-6,13,17H,7-9H2
InChIKeyVYAZOPORIQRIDH-UHFFFAOYSA-N
XLogP2.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine 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-(3-fluorophenyl)-N-[[1-(2-methylpropyl)pyrazol-3-yl]methyl]methanamine;hydrochloride
CID 126964397
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-2-phenylethanamine;hydrochloride
CID 126967715
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-(thiophen-2-ylmethyl)methanamine
CID 122168476
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]propan-1-amine
CID 122168966
2,2-difluoro-N-[(3-fluorophenyl)methyl]ethanamine
CID 60921890
1-(3-fluorophenyl)-N-[[1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]methanamine
CID 143794091
N-[(3,5-difluorophenyl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methanamine
CID 122168020
N-[[1-(2,2-difluoroethyl)pyrazol-4-yl]methyl]-1-(1-propylpyrazol-3-yl)methanamine
CID 122167663
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126963870
1-[1-(2,2-difluoroethyl)pyrazol-3-yl]-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]methanamine;hydrochloride
CID 126966474
N-[(6-bromo-2-pyridinyl)methyl]-1-(3-fluorophenyl)methanamine
CID 112581892
1-(2,2-difluoroethyl)-N-[(3-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 126966884

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine?
The IUPAC name of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine (CID 122168263) is N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine.
What is the SMILES notation for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine?
The canonical SMILES for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine is Fc1cccc(CNCc2ccn(CC(F)F)n2)c1.
What is the InChIKey of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine?
The InChIKey is VYAZOPORIQRIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-11-3-1-2-10(6-11)7-17-8-12-4-5-19(18-12)9-13(15)16/h1-6,13,17H,7-9H2.
What are the key properties of N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine?
N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine has a molecular weight of 269.27 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,2-difluoroethyl)pyrazol-3-yl]methyl]-1-(3-fluorophenyl)methanamine is sourced from PubChem (CID 122168263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).