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

C20H21F3N6O2 — CID 177050461

IUPAC3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C20H21F3N6O2/c1-28-17(8-12(26-28)11-31-2)19(30)25-15-4-3-5-16-14(15)10-29(27-16)13-6-7-24-18(9-13)20(21,22)23/h6-10,15H,3-5,11H2,1-2H3,(H,25,30)
InChIKeySQZITOODKBRBRS-UHFFFAOYSA-N
MW434.42 g/mol
LogP2.97
Rot. Bonds5

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

3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (PubChem CID 177050461) has the molecular formula C20H21F3N6O2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
PubChem CID177050461
Molecular FormulaC20H21F3N6O2
Molecular Weight434.42 g/mol
Exact Mass434.17
IUPAC Name3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCOCc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C20H21F3N6O2/c1-28-17(8-12(26-28)11-31-2)19(30)25-15-4-3-5-16-14(15)10-29(27-16)13-6-7-24-18(9-13)20(21,22)23/h6-10,15H,3-5,11H2,1-2H3,(H,25,30)
InChIKeySQZITOODKBRBRS-UHFFFAOYSA-N
XLogP2.97
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (CID 177050461) is 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is COCc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1.
What is the InChIKey of 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is SQZITOODKBRBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O2/c1-28-17(8-12(26-28)11-31-2)19(30)25-15-4-3-5-16-14(15)10-29(27-16)13-6-7-24-18(9-13)20(21,22)23/h6-10,15H,3-5,11H2,1-2H3,(H,25,30).
What are the key properties of 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 434.42 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177050461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).