1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine

C16H15F4N5 — CID 139449358

IUPAC1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine
SMILESC=C(NC(C)C(F)(F)F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H15F4N5/c1-8(22-9(2)16(18,19)20)14-12-4-10(11-6-21-25(3)7-11)5-13(17)15(12)24-23-14/h4-7,9,22H,1H2,2-3H3,(H,23,24)
InChIKeyZKVWYPJIYLBKAO-UHFFFAOYSA-N
MW353.32 g/mol
LogP3.61
Rot. Bonds4

About 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine

1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine (PubChem CID 139449358) has the molecular formula C16H15F4N5 and a molecular weight of 353.32 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine
PubChem CID139449358
Molecular FormulaC16H15F4N5
Molecular Weight353.32 g/mol
Exact Mass353.13
IUPAC Name1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine
SMILESC=C(NC(C)C(F)(F)F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12
InChIInChI=1S/C16H15F4N5/c1-8(22-9(2)16(18,19)20)14-12-4-10(11-6-21-25(3)7-11)5-13(17)15(12)24-23-14/h4-7,9,22H,1H2,2-3H3,(H,23,24)
InChIKeyZKVWYPJIYLBKAO-UHFFFAOYSA-N
XLogP3.61
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-2-fluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]cyclohexan-1-amine
CID 139448778
N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]-4-[(1-methylpiperidin-4-yl)methyl]aniline
CID 139448978
7-fluoro-5-(1-methylpyrazol-4-yl)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-2H-indazole-3-carboxamide
CID 139431431
N-[(2S)-3,3-difluorobutan-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole-3-carboxamide
CID 158269993
N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-7-methyl-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139448910
7-chloro-N-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-5-(1-methylpyrazol-4-yl)-2H-indazole-3-carboxamide
CID 139431378
3-fluoro-5-(1-methylpyrazol-4-yl)phenol
CID 83130417
N-[[2-fluoro-5-(1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 54980296
N-[(4,4-difluorocyclohexyl)methyl]-1-[5-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]ethenamine
CID 139448823
2-[3-[2-fluoro-4-(1-methylpyrazol-4-yl)anilino]-1H-indazol-6-yl]propan-2-ol
CID 156727141
3-iodo-5-(1-methylpyrazol-4-yl)-2H-indazole
CID 90391133
2,6-dimethoxy-4-[7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl]-N-[(2R)-1,1,1-trifluoropropan-2-yl]benzamide
CID 154636367

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine?
The IUPAC name of 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine (CID 139449358) is 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine is C=C(NC(C)C(F)(F)F)c1[nH]nc2c(F)cc(-c3cnn(C)c3)cc12.
What is the InChIKey of 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine?
The InChIKey is ZKVWYPJIYLBKAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F4N5/c1-8(22-9(2)16(18,19)20)14-12-4-10(11-6-21-25(3)7-11)5-13(17)15(12)24-23-14/h4-7,9,22H,1H2,2-3H3,(H,23,24).
What are the key properties of 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine?
1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine has a molecular weight of 353.32 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[1-[7-fluoro-5-(1-methylpyrazol-4-yl)-2H-indazol-3-yl]ethenyl]propan-2-amine is sourced from PubChem (CID 139449358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).