4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide

C20H18Cl2F3N5O — CID 163267355

IUPAC4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(Nc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1)c1[nH]ncc1Cl
InChIInChI=1S/C20H18Cl2F3N5O/c21-10-1-6-15-13(7-10)16(8-17(29-15)20(23,24)25)27-11-2-4-12(5-3-11)28-19(31)18-14(22)9-26-30-18/h1,6-9,11-12H,2-5H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyXMJVJZYDRQHVCU-UHFFFAOYSA-N
MW472.30 g/mol
LogP5.44
Rot. Bonds4

About 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide

4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 163267355) has the molecular formula C20H18Cl2F3N5O and a molecular weight of 472.30 g/mol. Its IUPAC name is 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID163267355
Molecular FormulaC20H18Cl2F3N5O
Molecular Weight472.30 g/mol
Exact Mass471.08
IUPAC Name4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NC1CCC(Nc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1)c1[nH]ncc1Cl
InChIInChI=1S/C20H18Cl2F3N5O/c21-10-1-6-15-13(7-10)16(8-17(29-15)20(23,24)25)27-11-2-4-12(5-3-11)28-19(31)18-14(22)9-26-30-18/h1,6-9,11-12H,2-5H2,(H,26,30)(H,27,29)(H,28,31)
InChIKeyXMJVJZYDRQHVCU-UHFFFAOYSA-N
XLogP5.44
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.30
LogP ≤ 55.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide with MolForge

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Related Compounds

N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-(methylamino)benzamide
CID 163266948
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163267157
2-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-6-fluoro-3-methoxybenzamide
CID 163266943
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-methyl-1,2-oxazole-4-carboxamide
CID 163267125
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-5-methyl-4-oxidopyrazin-4-ium-2-carboxamide
CID 164787039
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-pyrazol-1-ylbenzamide
CID 163267123
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-2-oxo-3,4-dihydro-1H-quinoline-7-carboxamide
CID 163267359
(2S)-2-(tert-butylcarbamoylamino)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3,3-dimethylbutanamide
CID 167099163
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-3-(propanoylamino)benzamide
CID 163267091
2-chloro-N-[4-[[2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]benzamide
CID 163267255
4-chloro-1-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-5-carboxamide
CID 163267229
3-chloro-1-(3-chloro-2-pyridinyl)-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]pyrazole-5-carboxamide
CID 163267352

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide (CID 163267355) is 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide is O=C(NC1CCC(Nc2cc(C(F)(F)F)nc3ccc(Cl)cc23)CC1)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is XMJVJZYDRQHVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2F3N5O/c21-10-1-6-15-13(7-10)16(8-17(29-15)20(23,24)25)27-11-2-4-12(5-3-11)28-19(31)18-14(22)9-26-30-18/h1,6-9,11-12H,2-5H2,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide?
4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 472.30 g/mol, XLogP of 5.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 163267355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).