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

C19H19F3N6O2 — CID 177050752

IUPAC3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C19H19F3N6O2/c1-27-15(9-17(26-27)30-2)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-16(8-11)19(20,21)22/h6-10,13H,3-5H2,1-2H3,(H,24,29)
InChIKeyVAUYMFKIPAKGHM-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.84
Rot. Bonds4

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

3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (PubChem CID 177050752) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
PubChem CID177050752
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide
SMILESCOc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1
InChIInChI=1S/C19H19F3N6O2/c1-27-15(9-17(26-27)30-2)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-16(8-11)19(20,21)22/h6-10,13H,3-5H2,1-2H3,(H,24,29)
InChIKeyVAUYMFKIPAKGHM-UHFFFAOYSA-N
XLogP2.84
TPSA86.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide (CID 177050752) is 3-methoxy-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-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is COc1cc(C(=O)NC2CCCc3nn(-c4ccnc(C(F)(F)F)c4)cc32)n(C)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
The InChIKey is VAUYMFKIPAKGHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-27-15(9-17(26-27)30-2)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-16(8-11)19(20,21)22/h6-10,13H,3-5H2,1-2H3,(H,24,29).
What are the key properties of 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide?
3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-[2-(trifluoromethyl)-4-pyridinyl]-4,5,6,7-tetrahydroindazol-4-yl]pyrazole-5-carboxamide is sourced from PubChem (CID 177050752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).