3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide

C17H16F3N7O2 — CID 146381559

IUPAC3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H16F3N7O2/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28)
InChIKeyYRADBYWOOKSYIL-UHFFFAOYSA-N
MW407.36 g/mol
LogP2.39
Rot. Bonds5

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

3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (PubChem CID 146381559) has the molecular formula C17H16F3N7O2 and a molecular weight of 407.36 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
PubChem CID146381559
Molecular FormulaC17H16F3N7O2
Molecular Weight407.36 g/mol
Exact Mass407.13
IUPAC Name3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C17H16F3N7O2/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28)
InChIKeyYRADBYWOOKSYIL-UHFFFAOYSA-N
XLogP2.39
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide (CID 146381559) is 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1cccc(-c2nncn2C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
The InChIKey is YRADBYWOOKSYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N7O2/c1-26-8-10(15(25-26)29-2)14(28)23-12-5-3-4-11(22-12)13-24-21-9-27(13)16(6-7-16)17(18,19)20/h3-5,8-9H,6-7H2,1-2H3,(H,22,23,28).
What are the key properties of 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide has a molecular weight of 407.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[6-[4-[1-(trifluoromethyl)cyclopropyl]-1,2,4-triazol-3-yl]-2-pyridinyl]pyrazole-4-carboxamide is sourced from PubChem (CID 146381559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).