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

C16H21ClFN3 — CID 62130367

IUPACN-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H21ClFN3/c1-5-8-19-10(2)14-9-13(18)6-7-15(14)21-12(4)16(17)11(3)20-21/h6-7,9-10,19H,5,8H2,1-4H3
InChIKeyLFFGCKYQZITPTB-UHFFFAOYSA-N
MW309.82 g/mol
LogP4.34
Rot. Bonds5

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

N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine (PubChem CID 62130367) has the molecular formula C16H21ClFN3 and a molecular weight of 309.82 g/mol. Its IUPAC name is N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
PubChem CID62130367
Molecular FormulaC16H21ClFN3
Molecular Weight309.82 g/mol
Exact Mass309.14
IUPAC NameN-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cc(F)ccc1-n1nc(C)c(Cl)c1C
InChIInChI=1S/C16H21ClFN3/c1-5-8-19-10(2)14-9-13(18)6-7-15(14)21-12(4)16(17)11(3)20-21/h6-7,9-10,19H,5,8H2,1-4H3
InChIKeyLFFGCKYQZITPTB-UHFFFAOYSA-N
XLogP4.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 63071540
N-[1-(2,5-difluorophenyl)ethyl]propan-1-amine
CID 24705464
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-N-methylethanamine
CID 62130026
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
(1R)-1-[5-fluoro-2-(3,4,5-trimethylpyrazol-1-yl)phenyl]ethanol
CID 78941320
N-[1-[5-fluoro-2-(1,4-oxazepan-4-yl)phenyl]ethyl]propan-1-amine
CID 62974863
1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)phenyl]-N-ethylpropan-1-amine
CID 115995440
N-[1-[2-(2,4-dimethylpiperidin-1-yl)-5-fluorophenyl]ethyl]propan-1-amine
CID 63534019
5-fluoro-2-[1-(propylamino)ethyl]phenol
CID 63064581
(1S)-1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethanol
CID 78941337
(1S)-1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]ethanamine
CID 78937665

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine (CID 62130367) is N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine is CCCNC(C)c1cc(F)ccc1-n1nc(C)c(Cl)c1C.
What is the InChIKey of N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
The InChIKey is LFFGCKYQZITPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFN3/c1-5-8-19-10(2)14-9-13(18)6-7-15(14)21-12(4)16(17)11(3)20-21/h6-7,9-10,19H,5,8H2,1-4H3.
What are the key properties of N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine?
N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine has a molecular weight of 309.82 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-5-fluorophenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62130367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).