5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide

C15H14F3N5O — CID 139431407

IUPAC5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCCC(F)(F)F)c3c2)cn1
InChIInChI=1S/C15H14F3N5O/c1-23-8-10(7-20-23)9-2-3-12-11(6-9)13(22-21-12)14(24)19-5-4-15(16,17)18/h2-3,6-8H,4-5H2,1H3,(H,19,24)(H,21,22)
InChIKeyWYLJUOFKVZEGHV-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.65
Rot. Bonds4

About 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide

5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide (PubChem CID 139431407) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide
PubChem CID139431407
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide
SMILESCn1cc(-c2ccc3[nH]nc(C(=O)NCCC(F)(F)F)c3c2)cn1
InChIInChI=1S/C15H14F3N5O/c1-23-8-10(7-20-23)9-2-3-12-11(6-9)13(22-21-12)14(24)19-5-4-15(16,17)18/h2-3,6-8H,4-5H2,1H3,(H,19,24)(H,21,22)
InChIKeyWYLJUOFKVZEGHV-UHFFFAOYSA-N
XLogP2.65
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide (CID 139431407) is 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide is Cn1cc(-c2ccc3[nH]nc(C(=O)NCCC(F)(F)F)c3c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide?
The InChIKey is WYLJUOFKVZEGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-23-8-10(7-20-23)9-2-3-12-11(6-9)13(22-21-12)14(24)19-5-4-15(16,17)18/h2-3,6-8H,4-5H2,1H3,(H,19,24)(H,21,22).
What are the key properties of 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide?
5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide has a molecular weight of 337.31 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).