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

C18H17F3N6O2 — CID 177051413

IUPAC1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccc(=O)[nH]c3)cc21
InChIInChI=1S/C18H17F3N6O2/c1-26-14(7-15(25-26)18(19,20)21)17(29)23-12-3-2-4-13-11(12)9-27(24-13)10-5-6-16(28)22-8-10/h5-9,12H,2-4H2,1H3,(H,22,28)(H,23,29)
InChIKeyLHAAEIPURBBSBQ-UHFFFAOYSA-N
MW406.37 g/mol
LogP2.12
Rot. Bonds3

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

1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051413) has the molecular formula C18H17F3N6O2 and a molecular weight of 406.37 g/mol. Its IUPAC name is 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051413
Molecular FormulaC18H17F3N6O2
Molecular Weight406.37 g/mol
Exact Mass406.14
IUPAC Name1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccc(=O)[nH]c3)cc21
InChIInChI=1S/C18H17F3N6O2/c1-26-14(7-15(25-26)18(19,20)21)17(29)23-12-3-2-4-13-11(12)9-27(24-13)10-5-6-16(28)22-8-10/h5-9,12H,2-4H2,1H3,(H,22,28)(H,23,29)
InChIKeyLHAAEIPURBBSBQ-UHFFFAOYSA-N
XLogP2.12
TPSA97.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.37
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051413) is 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccc(=O)[nH]c3)cc21.
What is the InChIKey of 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is LHAAEIPURBBSBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N6O2/c1-26-14(7-15(25-26)18(19,20)21)17(29)23-12-3-2-4-13-11(12)9-27(24-13)10-5-6-16(28)22-8-10/h5-9,12H,2-4H2,1H3,(H,22,28)(H,23,29).
What are the key properties of 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 406.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(6-oxo-1H-pyridin-3-yl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).