1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine

C13H21F3N4O — CID 107109658

IUPAC1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCCOCC(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4O/c14-13(15,16)10-21-9-1-5-19-6-2-11(3-7-19)20-8-4-12(17)18-20/h4,8,11H,1-3,5-7,9-10H2,(H2,17,18)
InChIKeyCZUGNUACJIONEG-UHFFFAOYSA-N
MW306.33 g/mol
LogP2.07
Rot. Bonds6

About 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine

1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine (PubChem CID 107109658) has the molecular formula C13H21F3N4O and a molecular weight of 306.33 g/mol. Its IUPAC name is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine
PubChem CID107109658
Molecular FormulaC13H21F3N4O
Molecular Weight306.33 g/mol
Exact Mass306.17
IUPAC Name1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine
SMILESNc1ccn(C2CCN(CCCOCC(F)(F)F)CC2)n1
InChIInChI=1S/C13H21F3N4O/c14-13(15,16)10-21-9-1-5-19-6-2-11(3-7-19)20-8-4-12(17)18-20/h4,8,11H,1-3,5-7,9-10H2,(H2,17,18)
InChIKeyCZUGNUACJIONEG-UHFFFAOYSA-N
XLogP2.07
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-(morpholin-4-yl)ethyl)-1H-pyrazol-3-amine
CID 50989708
1-[3-(morpholin-4-yl)propyl]-1H-pyrazol-3-amine
CID 63310505
1-(oxan-4-yl)-1H-pyrazol-3-amine
CID 63937838
1-(oxan-3-yl)-1H-pyrazol-3-amine
CID 84652730
1-(1-Methyl-4-piperidinyl)-1H-pyrazol-3-amine
CID 84657588
1-[(5,5-Difluorooxan-2-yl)methyl]pyrazol-3-amine
CID 145966610
1-(2-(2,2,2-trifluoroethoxy)ethyl)-1H-pyrazol-3-amine
CID 61490885
3-hydrazinyl-1-(oxan-4-yl)-1H-pyrazole dihydrochloride
CID 138040608
1-(4,4-Difluorocyclohexyl)pyrazol-3-amine
CID 156566013
N-(1-methylpyrazol-3-yl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54921206
1-(3-(2,2,2-Trifluoroethoxy)propyl)-1h-pyrazol-3-amine
CID 61491349
1-[3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]propyl]pyrazol-3-amine
CID 63310350

Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine?
The IUPAC name of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine (CID 107109658) is 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine.
What is the SMILES notation for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine?
The canonical SMILES for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine is Nc1ccn(C2CCN(CCCOCC(F)(F)F)CC2)n1.
What is the InChIKey of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine?
The InChIKey is CZUGNUACJIONEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N4O/c14-13(15,16)10-21-9-1-5-19-6-2-11(3-7-19)20-8-4-12(17)18-20/h4,8,11H,1-3,5-7,9-10H2,(H2,17,18).
What are the key properties of 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine?
1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine has a molecular weight of 306.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(2,2,2-trifluoroethoxy)propyl]piperidin-4-yl]pyrazol-3-amine is sourced from PubChem (CID 107109658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).