N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine

C15H18F3N3 — CID 62731966

IUPACN-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-11(2)13-8-20-21(10-13)9-12-5-4-6-14(7-12)15(16,17)18/h4-8,10-11,19H,3,9H2,1-2H3
InChIKeyDPYSTSAKHRSBMO-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.62
Rot. Bonds5

About N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine

N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine (PubChem CID 62731966) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
PubChem CID62731966
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine
SMILESCCNC(C)c1cnn(Cc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C15H18F3N3/c1-3-19-11(2)13-8-20-21(10-13)9-12-5-4-6-14(7-12)15(16,17)18/h4-8,10-11,19H,3,9H2,1-2H3
InChIKeyDPYSTSAKHRSBMO-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanol
CID 62730727
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
N-ethyl-1-(1-methylpyrazol-4-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 65195617
1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-one
CID 62728193
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
1-propyl-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344336
N-ethyl-3-methyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 62600569
1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 79001292
N-ethyl-1-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]propan-1-amine
CID 62730349
2,2,2-trifluoro-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]acetamide
CID 19346859
1-ethyl-3,5-bis(trifluoromethyl)benzene;(1R)-N-ethyl-1-phenylethanamine
CID 142869598
1-(3-ethoxypropyl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]thiourea
CID 19344331

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The IUPAC name of N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine (CID 62731966) is N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine.
What is the SMILES notation for N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The canonical SMILES for N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine is CCNC(C)c1cnn(Cc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
The InChIKey is DPYSTSAKHRSBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-19-11(2)13-8-20-21(10-13)9-12-5-4-6-14(7-12)15(16,17)18/h4-8,10-11,19H,3,9H2,1-2H3.
What are the key properties of N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine?
N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]ethanamine is sourced from PubChem (CID 62731966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).