7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide

C15H13F4N5O — CID 139431383

IUPAC7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(F)c3n[nH]c(C(=O)NCCC(F)(F)F)c3c2)cn1
InChIInChI=1S/C15H13F4N5O/c1-24-7-9(6-21-24)8-4-10-12(11(16)5-8)22-23-13(10)14(25)20-3-2-15(17,18)19/h4-7H,2-3H2,1H3,(H,20,25)(H,22,23)
InChIKeyLQHZBGRGAPAMKS-UHFFFAOYSA-N
MW355.30 g/mol
LogP2.78
Rot. Bonds4

About 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide

7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide (PubChem CID 139431383) has the molecular formula C15H13F4N5O and a molecular weight of 355.30 g/mol. Its IUPAC name is 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide
PubChem CID139431383
Molecular FormulaC15H13F4N5O
Molecular Weight355.30 g/mol
Exact Mass355.11
IUPAC Name7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide
SMILESCn1cc(-c2cc(F)c3n[nH]c(C(=O)NCCC(F)(F)F)c3c2)cn1
InChIInChI=1S/C15H13F4N5O/c1-24-7-9(6-21-24)8-4-10-12(11(16)5-8)22-23-13(10)14(25)20-3-2-15(17,18)19/h4-7H,2-3H2,1H3,(H,20,25)(H,22,23)
InChIKeyLQHZBGRGAPAMKS-UHFFFAOYSA-N
XLogP2.78
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide?
The IUPAC name of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide (CID 139431383) is 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide.
What is the SMILES notation for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide?
The canonical SMILES for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide is Cn1cc(-c2cc(F)c3n[nH]c(C(=O)NCCC(F)(F)F)c3c2)cn1.
What is the InChIKey of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide?
The InChIKey is LQHZBGRGAPAMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O/c1-24-7-9(6-21-24)8-4-10-12(11(16)5-8)22-23-13(10)14(25)20-3-2-15(17,18)19/h4-7H,2-3H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide?
7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide has a molecular weight of 355.30 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-5-(1-methylpyrazol-4-yl)-N-(3,3,3-trifluoropropyl)-2H-indazole-3-carboxamide is sourced from PubChem (CID 139431383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).