5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine

C15H17F3N4O — CID 118020588

IUPAC5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH]n1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)23-12-3-1-11(2-4-12)22-7-5-10(6-8-22)13-9-14(19)21-20-13/h1-4,9-10H,5-8H2,(H3,19,20,21)
InChIKeyCSUKRYOLNZNHLG-UHFFFAOYSA-N
MW326.32 g/mol
LogP3.27
Rot. Bonds3

About 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine

5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine (PubChem CID 118020588) has the molecular formula C15H17F3N4O and a molecular weight of 326.32 g/mol. Its IUPAC name is 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine
PubChem CID118020588
Molecular FormulaC15H17F3N4O
Molecular Weight326.32 g/mol
Exact Mass326.14
IUPAC Name5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine
SMILESNc1cc(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH]n1
InChIInChI=1S/C15H17F3N4O/c16-15(17,18)23-12-3-1-11(2-4-12)22-7-5-10(6-8-22)13-9-14(19)21-20-13/h1-4,9-10H,5-8H2,(H3,19,20,21)
InChIKeyCSUKRYOLNZNHLG-UHFFFAOYSA-N
XLogP3.27
TPSA67.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-Methyl-3-(4-trifluoromethoxy-phenylamino)-1H-pyrazole-4-carbonitrile
CID 10516983
1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
CID 29105712
1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(difluoromethoxy)phenyl]urea
CID 11522413
3-tert-Butyl-1-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-amine
CID 67456959
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-2-(difluoromethoxy)benzonitrile
CID 118020285
3-{1-[4-(difluoromethoxy)phenyl]piperidin-4-yl}-1H-pyrazol-5-amine
CID 118020299
5-[4-(3-amino-1H-pyrazol-5-yl)piperidin-1-yl]-2-(trifluoromethoxy)benzonitrile
CID 118020584
5-[(3R,4R)-1-[4-(difluoromethoxy)phenyl]-3-methylpiperidin-4-yl]-1H-pyrazol-3-amine
CID 118147738
3-amino-N'-(5-tert-butyl-1H-pyrazol-3-yl)-3-(4-fluoro-1,1,2-trimethylindol-1-ium-5-yl)oxyprop-2-enimidamide
CID 123340294
3-amino-3-(4,6-difluoro-1,1,2-trimethylindol-1-ium-5-yl)oxy-N'-(5-propan-2-yl-1H-pyrazol-3-yl)prop-2-enimidamide
CID 123982675
5-Propan-2-yl-2-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 126743920
5-Methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-3-amine
CID 130222471

Frequently Asked Questions

What is the IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The IUPAC name of 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine (CID 118020588) is 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine.
What is the SMILES notation for 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The canonical SMILES for 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine is Nc1cc(C2CCN(c3ccc(OC(F)(F)F)cc3)CC2)[nH]n1.
What is the InChIKey of 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine?
The InChIKey is CSUKRYOLNZNHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O/c16-15(17,18)23-12-3-1-11(2-4-12)22-7-5-10(6-8-22)13-9-14(19)21-20-13/h1-4,9-10H,5-8H2,(H3,19,20,21).
What are the key properties of 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine?
5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine has a molecular weight of 326.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]-1H-pyrazol-3-amine is sourced from PubChem (CID 118020588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).