1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide

C17H18F3N5O2 — CID 70781022

IUPAC1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccn(C)n3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H18F3N5O2/c1-10(2)27-11-4-5-12-14(8-11)25(9-17(18,19)20)23-15(12)21-16(26)13-6-7-24(3)22-13/h4-8,10H,9H2,1-3H3,(H,21,23,26)
InChIKeyXBYWNJURTZLOLW-UHFFFAOYSA-N
MW381.36 g/mol
LogP3.37
Rot. Bonds5

About 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide

1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide (PubChem CID 70781022) has the molecular formula C17H18F3N5O2 and a molecular weight of 381.36 g/mol. Its IUPAC name is 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide
PubChem CID70781022
Molecular FormulaC17H18F3N5O2
Molecular Weight381.36 g/mol
Exact Mass381.14
IUPAC Name1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccn(C)n3)nn(CC(F)(F)F)c2c1
InChIInChI=1S/C17H18F3N5O2/c1-10(2)27-11-4-5-12-14(8-11)25(9-17(18,19)20)23-15(12)21-16(26)13-6-7-24(3)22-13/h4-8,10H,9H2,1-3H3,(H,21,23,26)
InChIKeyXBYWNJURTZLOLW-UHFFFAOYSA-N
XLogP3.37
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide (CID 70781022) is 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide is CC(C)Oc1ccc2c(NC(=O)c3ccn(C)n3)nn(CC(F)(F)F)c2c1.
What is the InChIKey of 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide?
The InChIKey is XBYWNJURTZLOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O2/c1-10(2)27-11-4-5-12-14(8-11)25(9-17(18,19)20)23-15(12)21-16(26)13-6-7-24(3)22-13/h4-8,10H,9H2,1-3H3,(H,21,23,26).
What are the key properties of 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 381.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[6-propan-2-yloxy-1-(2,2,2-trifluoroethyl)indazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 70781022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).