N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide

C18H21F3N4O2 — CID 171127156

IUPACN-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCOC1CC(CNC(=O)c2cccnc2)CC(n2cccn2)C1C(F)(F)F
InChIInChI=1S/C18H21F3N4O2/c1-27-15-9-12(10-23-17(26)13-4-2-5-22-11-13)8-14(16(15)18(19,20)21)25-7-3-6-24-25/h2-7,11-12,14-16H,8-10H2,1H3,(H,23,26)
InChIKeyQOSJGFSMDOPISD-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.85
Rot. Bonds5

About N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide

N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide (PubChem CID 171127156) has the molecular formula C18H21F3N4O2 and a molecular weight of 382.39 g/mol. Its IUPAC name is N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide
PubChem CID171127156
Molecular FormulaC18H21F3N4O2
Molecular Weight382.39 g/mol
Exact Mass382.16
IUPAC NameN-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide
SMILESCOC1CC(CNC(=O)c2cccnc2)CC(n2cccn2)C1C(F)(F)F
InChIInChI=1S/C18H21F3N4O2/c1-27-15-9-12(10-23-17(26)13-4-2-5-22-11-13)8-14(16(15)18(19,20)21)25-7-3-6-24-25/h2-7,11-12,14-16H,8-10H2,1H3,(H,23,26)
InChIKeyQOSJGFSMDOPISD-UHFFFAOYSA-N
XLogP2.85
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide (CID 171127156) is N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide is COC1CC(CNC(=O)c2cccnc2)CC(n2cccn2)C1C(F)(F)F.
What is the InChIKey of N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide?
The InChIKey is QOSJGFSMDOPISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N4O2/c1-27-15-9-12(10-23-17(26)13-4-2-5-22-11-13)8-14(16(15)18(19,20)21)25-7-3-6-24-25/h2-7,11-12,14-16H,8-10H2,1H3,(H,23,26).
What are the key properties of N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide?
N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide has a molecular weight of 382.39 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-5-pyrazol-1-yl-4-(trifluoromethyl)cyclohexyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 171127156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).