4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

C19H18F3N5O2S — CID 167836082

IUPAC4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H18F3N5O2S/c20-19(21,22)13-4-2-1-3-12(13)18(29)5-8-27(9-6-18)17(28)25-14-11-24-26-15(14)16-23-7-10-30-16/h1-4,7,10-11,29H,5-6,8-9H2,(H,24,26)(H,25,28)
InChIKeyWMAKJZXPVDHDTO-UHFFFAOYSA-N
MW437.45 g/mol
LogP4.07
Rot. Bonds3

About 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide

4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (PubChem CID 167836082) has the molecular formula C19H18F3N5O2S and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
PubChem CID167836082
Molecular FormulaC19H18F3N5O2S
Molecular Weight437.45 g/mol
Exact Mass437.11
IUPAC Name4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1cn[nH]c1-c1nccs1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C19H18F3N5O2S/c20-19(21,22)13-4-2-1-3-12(13)18(29)5-8-27(9-6-18)17(28)25-14-11-24-26-15(14)16-23-7-10-30-16/h1-4,7,10-11,29H,5-6,8-9H2,(H,24,26)(H,25,28)
InChIKeyWMAKJZXPVDHDTO-UHFFFAOYSA-N
XLogP4.07
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.45
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]piperidine-1-carboxamide
CID 154863935
6-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1,4-oxazepane-4-carboxamide
CID 154876348
1-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]urea
CID 155951281
N-cyclohexyl-N-methyl-2-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]carbamoylamino]benzamide
CID 154863906
4-fluoro-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-1H-indole-3-carboxamide
CID 154863965
N-[2-(trifluoromethyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carboxamide
CID 970571
2,2-dimethyl-N-[1-oxo-1-[[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]amino]propan-2-yl]propanamide
CID 166234133
1-[4-fluoro-3-(2-oxo-1,3-diazinan-1-yl)phenyl]-3-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]urea
CID 167919817
4-(2-oxo-1H-pyrazin-3-yl)-N-[2-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 72907505
2-methyl-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]hexanamide
CID 122159548
4-hydroxy-4-(2-methylphenyl)-N-(2-phenylphenyl)piperidine-1-carboxamide
CID 99774747
1-(3,3-dimethyl-2-oxobutyl)-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]triazole-4-carboxamide
CID 154863950

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide (CID 167836082) is 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is O=C(Nc1cn[nH]c1-c1nccs1)N1CCC(O)(c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
The InChIKey is WMAKJZXPVDHDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2S/c20-19(21,22)13-4-2-1-3-12(13)18(29)5-8-27(9-6-18)17(28)25-14-11-24-26-15(14)16-23-7-10-30-16/h1-4,7,10-11,29H,5-6,8-9H2,(H,24,26)(H,25,28).
What are the key properties of 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide?
4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide has a molecular weight of 437.45 g/mol, XLogP of 4.07, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[5-(1,3-thiazol-2-yl)-1H-pyrazol-4-yl]-4-[2-(trifluoromethyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 167836082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).