1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

C22H25F3N6O2 — CID 167957425

IUPAC1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3cn(C)nc3-c3cnn(C)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-29-6-4-17(5-7-29)33-18-9-15(22(23,24)25)8-16(10-18)27-21(32)19-13-31(3)28-20(19)14-11-26-30(2)12-14/h8-13,17H,4-7H2,1-3H3,(H,27,32)
InChIKeyVGXVEUHZRUZMHS-UHFFFAOYSA-N
MW462.48 g/mol
LogP3.56
Rot. Bonds5

About 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide

1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (PubChem CID 167957425) has the molecular formula C22H25F3N6O2 and a molecular weight of 462.48 g/mol. Its IUPAC name is 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
PubChem CID167957425
Molecular FormulaC22H25F3N6O2
Molecular Weight462.48 g/mol
Exact Mass462.20
IUPAC Name1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
SMILESCN1CCC(Oc2cc(NC(=O)c3cn(C)nc3-c3cnn(C)c3)cc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H25F3N6O2/c1-29-6-4-17(5-7-29)33-18-9-15(22(23,24)25)8-16(10-18)27-21(32)19-13-31(3)28-20(19)14-11-26-30(2)12-14/h8-13,17H,4-7H2,1-3H3,(H,27,32)
InChIKeyVGXVEUHZRUZMHS-UHFFFAOYSA-N
XLogP3.56
TPSA77.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.48
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(1H-imidazol-2-yl)-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 167813272
N-(4-carbamoyl-3-chlorophenyl)-1-methyl-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide
CID 154744015
2-chloro-N-[3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 87108890
N-[4-[2-fluoro-4-[[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-2-pyridinyl]cyclopropanecarboxamide
CID 118233810
2,4-difluoro-N-[3-(1-methylpiperidin-4-yl)oxyphenyl]benzamide;hydrochloride
CID 69075859
N-(1,4-dimethylpyrazol-3-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
CID 177028415
3-chloro-N-(1-methylpyrazol-4-yl)-5-(trifluoromethyl)benzamide
CID 99700724
N-(1-cyclopropylpyrazol-4-yl)-5-[3-[3-fluoro-5-(trifluoromethyl)phenoxy]azetidin-1-yl]-1-methylpyrazole-4-carboxamide
CID 177028427
3,5-dichloro-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]benzamide
CID 171152518
6-fluoro-N-[5-fluoro-6-(1-methylpiperidin-4-yl)oxy-3-pyridinyl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 139431454
[6-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)-3-pyridinyl]urea
CID 175914079
3-(4-methylphenyl)-1-phenyl-N-[3-pyridin-3-yloxy-5-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 156904389

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide (CID 167957425) is 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is CN1CCC(Oc2cc(NC(=O)c3cn(C)nc3-c3cnn(C)c3)cc(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
The InChIKey is VGXVEUHZRUZMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O2/c1-29-6-4-17(5-7-29)33-18-9-15(22(23,24)25)8-16(10-18)27-21(32)19-13-31(3)28-20(19)14-11-26-30(2)12-14/h8-13,17H,4-7H2,1-3H3,(H,27,32).
What are the key properties of 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide?
1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide has a molecular weight of 462.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)phenyl]-3-(1-methylpyrazol-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 167957425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).