N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

C9H14F3N3 — CID 43492488

IUPACN-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C9H14F3N3/c1-3-13-8(4-9(10,11)12)7-5-14-15(2)6-7/h5-6,8,13H,3-4H2,1-2H3
InChIKeySBLIXDAWSWFQJC-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.02
Rot. Bonds4

About N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43492488) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43492488
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC NameN-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCCNC(CC(F)(F)F)c1cnn(C)c1
InChIInChI=1S/C9H14F3N3/c1-3-13-8(4-9(10,11)12)7-5-14-15(2)6-7/h5-6,8,13H,3-4H2,1-2H3
InChIKeySBLIXDAWSWFQJC-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43492488) is N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is CCNC(CC(F)(F)F)c1cnn(C)c1.
What is the InChIKey of N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is SBLIXDAWSWFQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-3-13-8(4-9(10,11)12)7-5-14-15(2)6-7/h5-6,8,13H,3-4H2,1-2H3.
What are the key properties of N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 221.23 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43492488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).