N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

C16H21F2N3 — CID 102804658

IUPACN-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1F)c1cn(C)nc1C
InChIInChI=1S/C16H21F2N3/c1-4-8-19-16(13-10-21(3)20-11(13)2)9-12-14(17)6-5-7-15(12)18/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyQESMRAPIFZRSCT-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.29
Rot. Bonds6

About N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine

N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 102804658) has the molecular formula C16H21F2N3 and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID102804658
Molecular FormulaC16H21F2N3
Molecular Weight293.36 g/mol
Exact Mass293.17
IUPAC NameN-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1c(F)cccc1F)c1cn(C)nc1C
InChIInChI=1S/C16H21F2N3/c1-4-8-19-16(13-10-21(3)20-11(13)2)9-12-14(17)6-5-7-15(12)18/h5-7,10,16,19H,4,8-9H2,1-3H3
InChIKeyQESMRAPIFZRSCT-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

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Related Compounds

N-[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803334
N-[2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 102803077
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(4-ethylphenyl)ethyl]propan-1-amine
CID 102803059
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-pyridin-2-ylethyl]propan-1-amine
CID 102803943
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)-N-ethylethanamine
CID 102804305
N-[1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyltetrazol-5-yl)ethyl]propan-1-amine
CID 107065029
1-(1,3-dimethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 102803357
1-(1,3-dimethylpyrazol-4-yl)-N-ethyl-2-(3-fluorophenyl)ethanamine
CID 102803029
1-(1,3-dimethylpyrazol-4-yl)-5-methyl-N-propylhexan-1-amine
CID 102804362
1-(1,3-dimethylpyrazol-4-yl)-5,5,5-trifluoro-N-propylpentan-1-amine
CID 102804304
[2-(2,3-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]hydrazine
CID 102804856

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine (CID 102804658) is N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is CCCNC(Cc1c(F)cccc1F)c1cn(C)nc1C.
What is the InChIKey of N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is QESMRAPIFZRSCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2N3/c1-4-8-19-16(13-10-21(3)20-11(13)2)9-12-14(17)6-5-7-15(12)18/h5-7,10,16,19H,4,8-9H2,1-3H3.
What are the key properties of N-[2-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine?
N-[2-(2,6-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-(2,6-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 102804658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).