4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

C24H32ClF3N4O2 — CID 153296690

IUPAC4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC
InChIInChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33)
InChIKeyKPKFKLAJHWLAHG-UHFFFAOYSA-N
MW500.99 g/mol
LogP5.92
Rot. Bonds8

About 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (PubChem CID 153296690) has the molecular formula C24H32ClF3N4O2 and a molecular weight of 500.99 g/mol. Its IUPAC name is 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
PubChem CID153296690
Molecular FormulaC24H32ClF3N4O2
Molecular Weight500.99 g/mol
Exact Mass500.22
IUPAC Name4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
SMILESCCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC
InChIInChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33)
InChIKeyKPKFKLAJHWLAHG-UHFFFAOYSA-N
XLogP5.92
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.99
LogP ≤ 55.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide with MolForge

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Related Compounds

US11034658, Example 46
CID 153296684
US11034658, Example 9
CID 153296722
US11034658, Example 49
CID 153296756
US11034658, Example 45
CID 153296821
N-(4-(chlorodifluoromethoxy)phenyl)-1-(2-(pyridin-4-yl)ethyl)-1H-pyrazole-5-carboxamide
CID 44431901
1-[(6-chloro-3-pyridinyl)methyl]-N-hydroxy-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 90682257
US10975057, Example 34
CID 146286256
US11034658, Example 11
CID 147174053
US10975037, Example 187
CID 153295963
US10975037, Example 129
CID 153296196
US10975057, Example 41
CID 153296607
US11034658, Example 43
CID 153296681

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide (CID 153296690) is 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is CCn1nc(C(=O)NCC2CCC(C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC.
What is the InChIKey of 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
The InChIKey is KPKFKLAJHWLAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33).
What are the key properties of 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide has a molecular weight of 500.99 g/mol, XLogP of 5.92, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-5-[4-methoxy-6-(3,3,3-trifluoro-2-methylpropyl)-3-pyridinyl]-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 153296690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).