N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C16H21F2N3 — CID 102803077

IUPACN-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)c1cn(C)nc1C
InChIInChI=1S/C16H21F2N3/c1-4-7-19-16(14-10-21(3)20-11(14)2)9-12-8-13(17)5-6-15(12)18/h5-6,8,10,16,19H,4,7,9H2,1-3H3
InChIKeyDNZKZSXWGRERIZ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 102803077) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID102803077
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1cc(F)ccc1F)c1cn(C)nc1C
InChIInChI=1S/C16H21F2N3/c1-4-7-19-16(14-10-21(3)20-11(14)2)9-12-8-13(17)5-6-15(12)18/h5-6,8,10,16,19H,4,7,9H2,1-3H3
InChIKeyDNZKZSXWGRERIZ-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine 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

N-[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803334
N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102804658
N-[2-(3-bromo-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803108
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
N-[1-(2,5-dimethylpyrazol-3-yl)-2-(5-fluoro-2-methylphenyl)ethyl]propan-1-amine
CID 105377138
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
N-[1-(1,3-dimethylpyrazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 102803943
N-[1-(2,5-dibromothiophen-3-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 107967979
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
N-[1-(5-bromo-4-methylthiophen-2-yl)-2-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 115809466
2-(3,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804672

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 102803077) is N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1cc(F)ccc1F)c1cn(C)nc1C.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is DNZKZSXWGRERIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-7-19-16(14-10-21(3)20-11(14)2)9-12-8-13(17)5-6-15(12)18/h5-6,8,10,16,19H,4,7,9H2,1-3H3.
What are the key properties of N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 293.36 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102803077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).