N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide

C20H18F6N6O — CID 177051672

IUPACN,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(C(F)(F)F)nn1C)[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H18F6N6O/c1-30(18(33)15-9-17(20(24,25)26)29-31(15)2)14-5-3-4-13-12(14)10-32(28-13)11-6-7-27-16(8-11)19(21,22)23/h6-10,14H,3-5H2,1-2H3/t14-/m0/s1
InChIKeyWYBGDYFWWSMXJX-AWEZNQCLSA-N
MW472.39 g/mol
LogP4.19
Rot. Bonds3

About N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide

N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (PubChem CID 177051672) has the molecular formula C20H18F6N6O and a molecular weight of 472.39 g/mol. Its IUPAC name is N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
PubChem CID177051672
Molecular FormulaC20H18F6N6O
Molecular Weight472.39 g/mol
Exact Mass472.14
IUPAC NameN,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCN(C(=O)c1cc(C(F)(F)F)nn1C)[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21
InChIInChI=1S/C20H18F6N6O/c1-30(18(33)15-9-17(20(24,25)26)29-31(15)2)14-5-3-4-13-12(14)10-32(28-13)11-6-7-27-16(8-11)19(21,22)23/h6-10,14H,3-5H2,1-2H3/t14-/m0/s1
InChIKeyWYBGDYFWWSMXJX-AWEZNQCLSA-N
XLogP4.19
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.39
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (CID 177051672) is N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is CN(C(=O)c1cc(C(F)(F)F)nn1C)[C@H]1CCCc2nn(-c3ccnc(C(F)(F)F)c3)cc21.
What is the InChIKey of N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is WYBGDYFWWSMXJX-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H18F6N6O/c1-30(18(33)15-9-17(20(24,25)26)29-31(15)2)14-5-3-4-13-12(14)10-32(28-13)11-6-7-27-16(8-11)19(21,22)23/h6-10,14H,3-5H2,1-2H3/t14-/m0/s1.
What are the key properties of N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 472.39 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(trifluoromethyl)-N-[(4S)-2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177051672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).