[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium

C9H14F3N4+ — CID 145270934

IUPAC[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
SMILES[NH3+]C1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/p+1
InChIKeyQSCKKJADTNVWPX-UHFFFAOYSA-O
MW235.23 g/mol
LogP0.55
Rot. Bonds1

About [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium

[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium (PubChem CID 145270934) has the molecular formula C9H14F3N4+ and a molecular weight of 235.23 g/mol. Its IUPAC name is [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium.

Molecular Properties

Compound Name[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
PubChem CID145270934
Molecular FormulaC9H14F3N4+
Molecular Weight235.23 g/mol
Exact Mass235.12
IUPAC Name[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium
SMILES[NH3+]C1(C(F)(F)F)CCCN(c2ccn[nH]2)C1
InChIInChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/p+1
InChIKeyQSCKKJADTNVWPX-UHFFFAOYSA-O
XLogP0.55
TPSA59.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium with MolForge

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Related Compounds

Piperidino-pyrazole
CID 21416212
Pyrazolyl piperazine
CID 21427013
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655317
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655318
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-ol
CID 126655319
tert-butyl N-[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate
CID 126655331
tert-butyl N-[(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate
CID 126655429
tert-butyl N-[(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]carbamate
CID 126655430
1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677628
(3R)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidine
CID 126677645
(3S)-1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-amine
CID 126677646
1-(1H-pyrazol-5-yl)-4-(3,3,3-trifluoropropylidene)piperidine
CID 141330185

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium?
The IUPAC name of [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium (CID 145270934) is [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium.
What is the SMILES notation for [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium?
The canonical SMILES for [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium is [NH3+]C1(C(F)(F)F)CCCN(c2ccn[nH]2)C1.
What is the InChIKey of [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium?
The InChIKey is QSCKKJADTNVWPX-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H13F3N4/c10-9(11,12)8(13)3-1-5-16(6-8)7-2-4-14-15-7/h2,4H,1,3,5-6,13H2,(H,14,15)/p+1.
What are the key properties of [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium?
[1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium has a molecular weight of 235.23 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazol-5-yl)-3-(trifluoromethyl)piperidin-3-yl]azanium is sourced from PubChem (CID 145270934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).