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

C19H19F3N6O2 — CID 177049901

IUPACN-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-n2cc3c(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C19H19F3N6O2/c1-27-15(9-16(26-27)19(20,21)22)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-17(8-11)30-2/h6-10,13H,3-5H2,1-2H3,(H,24,29)
InChIKeyGJLDNWAGJPAARN-UHFFFAOYSA-N
MW420.40 g/mol
LogP2.84
Rot. Bonds4

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

N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 177049901) has the molecular formula C19H19F3N6O2 and a molecular weight of 420.40 g/mol. Its IUPAC name is N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID177049901
Molecular FormulaC19H19F3N6O2
Molecular Weight420.40 g/mol
Exact Mass420.15
IUPAC NameN-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCOc1cc(-n2cc3c(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1
InChIInChI=1S/C19H19F3N6O2/c1-27-15(9-16(26-27)19(20,21)22)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-17(8-11)30-2/h6-10,13H,3-5H2,1-2H3,(H,24,29)
InChIKeyGJLDNWAGJPAARN-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 N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 177049901) is N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is COc1cc(-n2cc3c(n2)CCCC3NC(=O)c2cc(C(F)(F)F)nn2C)ccn1.
What is the InChIKey of N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is GJLDNWAGJPAARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N6O2/c1-27-15(9-16(26-27)19(20,21)22)18(29)24-13-4-3-5-14-12(13)10-28(25-14)11-6-7-23-17(8-11)30-2/h6-10,13H,3-5H2,1-2H3,(H,24,29).
What are the key properties of N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)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 N-[2-(2-methoxy-4-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 177049901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).