1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine

C15H19F2N3 — CID 82875994

IUPAC1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1ccn(C)n1
InChIInChI=1S/C15H19F2N3/c1-3-18-15(10-14-4-5-20(2)19-14)8-11-6-12(16)9-13(17)7-11/h4-7,9,15,18H,3,8,10H2,1-2H3
InChIKeyQQSDYAQPMFXVMD-UHFFFAOYSA-N
MW279.33 g/mol
LogP2.46
Rot. Bonds6

About 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine

1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine (PubChem CID 82875994) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
PubChem CID82875994
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
SMILESCCNC(Cc1cc(F)cc(F)c1)Cc1ccn(C)n1
InChIInChI=1S/C15H19F2N3/c1-3-18-15(10-14-4-5-20(2)19-14)8-11-6-12(16)9-13(17)7-11/h4-7,9,15,18H,3,8,10H2,1-2H3
InChIKeyQQSDYAQPMFXVMD-UHFFFAOYSA-N
XLogP2.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)-3-pyridin-3-ylpropan-2-amine
CID 82876645
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-4-yl)propan-2-amine
CID 62125771
N-ethyl-4,4-dimethyl-1-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82876652
4-ethoxy-N-ethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 105175167
1-cyclopropyl-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82876237
N-ethyl-1-(2-fluorophenyl)sulfanyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 82877543
1-(3,4-difluorophenyl)-N-methyl-3-(1-methylpyrazol-3-yl)propan-2-amine
CID 105025553
1-(5-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 114886305
N-ethyl-1,2-bis(1-methylpyrazol-3-yl)ethanamine
CID 82878256
1-(4-chloro-2-fluorophenyl)-N-ethyl-2-(1-methylpyrazol-3-yl)ethanamine
CID 82877800
1-(3,5-difluorophenyl)-N,4-diethylhexan-2-amine
CID 82923051
4-(3,5-difluorophenyl)-1-N,1-N,3-N-triethylbutane-1,3-diamine
CID 105406565

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The IUPAC name of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine (CID 82875994) is 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine is CCNC(Cc1cc(F)cc(F)c1)Cc1ccn(C)n1.
What is the InChIKey of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
The InChIKey is QQSDYAQPMFXVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-18-15(10-14-4-5-20(2)19-14)8-11-6-12(16)9-13(17)7-11/h4-7,9,15,18H,3,8,10H2,1-2H3.
What are the key properties of 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine?
1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine has a molecular weight of 279.33 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-N-ethyl-3-(1-methylpyrazol-3-yl)propan-2-amine is sourced from PubChem (CID 82875994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).