4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide

C19H14F3N3O2 — CID 175832446

IUPAC4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide
SMILESCC#Cc1ccc(C(N)=O)c2c1cnn2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c1-2-4-13-7-8-15(18(23)26)17-16(13)10-24-25(17)11-12-5-3-6-14(9-12)27-19(20,21)22/h3,5-10H,11H2,1H3,(H2,23,26)
InChIKeyRWFPKXWQMHXNAW-UHFFFAOYSA-N
MW373.33 g/mol
LogP3.45
Rot. Bonds4

About 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide

4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide (PubChem CID 175832446) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide.

Molecular Properties

Compound Name4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide
PubChem CID175832446
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide
SMILESCC#Cc1ccc(C(N)=O)c2c1cnn2Cc1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H14F3N3O2/c1-2-4-13-7-8-15(18(23)26)17-16(13)10-24-25(17)11-12-5-3-6-14(9-12)27-19(20,21)22/h3,5-10H,11H2,1H3,(H2,23,26)
InChIKeyRWFPKXWQMHXNAW-UHFFFAOYSA-N
XLogP3.45
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide?
The IUPAC name of 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide (CID 175832446) is 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide.
What is the SMILES notation for 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide?
The canonical SMILES for 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide is CC#Cc1ccc(C(N)=O)c2c1cnn2Cc1cccc(OC(F)(F)F)c1.
What is the InChIKey of 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide?
The InChIKey is RWFPKXWQMHXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-2-4-13-7-8-15(18(23)26)17-16(13)10-24-25(17)11-12-5-3-6-14(9-12)27-19(20,21)22/h3,5-10H,11H2,1H3,(H2,23,26).
What are the key properties of 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide?
4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide has a molecular weight of 373.33 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-ynyl-1-[[3-(trifluoromethoxy)phenyl]methyl]indazole-7-carboxamide is sourced from PubChem (CID 175832446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).