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

C19H19F3N6O2 — CID 177051446

IUPAC1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccn(C)c(=O)c3)cc21
InChIInChI=1S/C19H19F3N6O2/c1-26-7-6-11(8-17(26)29)28-10-12-13(4-3-5-14(12)24-28)23-18(30)15-9-16(19(20,21)22)25-27(15)2/h6-10,13H,3-5H2,1-2H3,(H,23,30)
InChIKeyNIESNLIUWZPSBV-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.13
Rot. Bonds3

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

1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177051446) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177051446
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC Name1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccn(C)c(=O)c3)cc21
InChIInChI=1S/C19H19F3N6O2/c1-26-7-6-11(8-17(26)29)28-10-12-13(4-3-5-14(12)24-28)23-18(30)15-9-16(19(20,21)22)25-27(15)2/h6-10,13H,3-5H2,1-2H3,(H,23,30)
InChIKeyNIESNLIUWZPSBV-UHFFFAOYSA-N
XLogP2.13
TPSA86.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177051446) is 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCc2nn(-c3ccn(C)c(=O)c3)cc21.
What is the InChIKey of 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is NIESNLIUWZPSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-26-7-6-11(8-17(26)29)28-10-12-13(4-3-5-14(12)24-28)23-18(30)15-9-16(19(20,21)22)25-27(15)2/h6-10,13H,3-5H2,1-2H3,(H,23,30).
What are the key properties of 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide?
1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 420.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(1-methyl-2-oxo-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177051446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).