3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide

C16H17F3N4O2 — CID 167975582

IUPAC3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1(O)CCCNC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-12(22-23-13)10-2-4-11(5-3-10)21-14(24)15(25)6-1-7-20-9-15/h2-5,8,20,25H,1,6-7,9H2,(H,21,24)(H,22,23)
InChIKeyZZIDWJAOTWYWMS-UHFFFAOYSA-N
MW354.33 g/mol
LogP2.15
Rot. Bonds3

About 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide

3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide (PubChem CID 167975582) has the molecular formula C16H17F3N4O2 and a molecular weight of 354.33 g/mol. Its IUPAC name is 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
PubChem CID167975582
Molecular FormulaC16H17F3N4O2
Molecular Weight354.33 g/mol
Exact Mass354.13
IUPAC Name3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
SMILESO=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1(O)CCCNC1
InChIInChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-12(22-23-13)10-2-4-11(5-3-10)21-14(24)15(25)6-1-7-20-9-15/h2-5,8,20,25H,1,6-7,9H2,(H,21,24)(H,22,23)
InChIKeyZZIDWJAOTWYWMS-UHFFFAOYSA-N
XLogP2.15
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.33
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide
CID 167761264
3-hydroxy-N-(3-methylphenyl)piperidine-3-carboxamide
CID 84726978
N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 166363089
2-(2-oxoazepan-4-yl)-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]acetamide
CID 167863574
3-hydroxy-N-[[4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methyl]piperidine-3-carboxamide
CID 177213711
4-hydroxy-2,6-dioxo-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]-1,3-diazinane-5-carboxamide
CID 155903294
N-(4-acetamidophenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943521
[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]methanol
CID 142636961
3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]piperidine-3-carboxamide
CID 119943997
3-hydroxy-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 84727286
3-methyl-N-pyridin-4-ylpiperidine-3-carboxamide;dihydrochloride
CID 119946059
3-methyl-N-[4-(triazol-2-yl)phenyl]piperidine-3-carboxamide
CID 63130247

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The IUPAC name of 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide (CID 167975582) is 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The canonical SMILES for 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide is O=C(Nc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1)C1(O)CCCNC1.
What is the InChIKey of 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
The InChIKey is ZZIDWJAOTWYWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F3N4O2/c17-16(18,19)13-8-12(22-23-13)10-2-4-11(5-3-10)21-14(24)15(25)6-1-7-20-9-15/h2-5,8,20,25H,1,6-7,9H2,(H,21,24)(H,22,23).
What are the key properties of 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide?
3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide has a molecular weight of 354.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[4-[5-(trifluoromethyl)-1H-pyrazol-3-yl]phenyl]piperidine-3-carboxamide is sourced from PubChem (CID 167975582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).