N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide

C18H19F6N5O2 — CID 76901700

IUPACN,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide
SMILESCN(C)C(=O)n1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F6N5O2/c1-27(2)16(30)29-15(9-13(26-29)18(22,23)24)31-12-5-7-28(8-6-12)14-4-3-11(10-25-14)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyKFEDRYQFKBHITR-UHFFFAOYSA-N
MW451.37 g/mol
LogP3.89
Rot. Bonds3

About N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide

N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide (PubChem CID 76901700) has the molecular formula C18H19F6N5O2 and a molecular weight of 451.37 g/mol. Its IUPAC name is N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide
PubChem CID76901700
Molecular FormulaC18H19F6N5O2
Molecular Weight451.37 g/mol
Exact Mass451.14
IUPAC NameN,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide
SMILESCN(C)C(=O)n1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C18H19F6N5O2/c1-27(2)16(30)29-15(9-13(26-29)18(22,23)24)31-12-5-7-28(8-6-12)14-4-3-11(10-25-14)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3
InChIKeyKFEDRYQFKBHITR-UHFFFAOYSA-N
XLogP3.89
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-methylpyridine
CID 118430565
2-(4-methyl-5-(pentan-3-yloxy)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 44408163
1-[3-(2-Ethylpyrazol-3-yl)oxy-5-(morpholin-4-ylmethyl)-2-pyridinyl]-3-methylurea
CID 118722871
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-4-methylpyridine
CID 118430457
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-methylpyridine
CID 118430463
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)pyridine
CID 118430491
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 118430511
5-(1,1-Difluoroethyl)-2-[4-(2,6-difluorophenoxy)-5-methyl-3-propan-2-yloxypyrazol-1-yl]pyridine
CID 118430584
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-3-fluoropyridine
CID 118430610
1-(2,5-Dimethylpyrazol-3-yl)-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 45825557
1-[(2-Cyclopentyloxy-3-pyridinyl)methyl]-3-(2,5-dimethylpyrazol-3-yl)urea
CID 51080214
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine
CID 51104902

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide?
The IUPAC name of N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide (CID 76901700) is N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide?
The canonical SMILES for N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide is CN(C)C(=O)n1nc(C(F)(F)F)cc1OC1CCN(c2ccc(C(F)(F)F)cn2)CC1.
What is the InChIKey of N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide?
The InChIKey is KFEDRYQFKBHITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F6N5O2/c1-27(2)16(30)29-15(9-13(26-29)18(22,23)24)31-12-5-7-28(8-6-12)14-4-3-11(10-25-14)17(19,20)21/h3-4,9-10,12H,5-8H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide?
N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide has a molecular weight of 451.37 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazole-1-carboxamide is sourced from PubChem (CID 76901700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).