2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

C20H17F3N6O — CID 163215282

IUPAC2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N6O/c1-11-2-4-14(7-16(11)20(21,22)23)26-18(30)10-29-9-13(8-25-29)12-3-5-15-17(6-12)27-28-19(15)24/h2-9H,10H2,1H3,(H,26,30)(H3,24,27,28)
InChIKeyDIIQAJOSYHMZBG-UHFFFAOYSA-N
MW414.39 g/mol
LogP3.97
Rot. Bonds4

About 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide

2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215282) has the molecular formula C20H17F3N6O and a molecular weight of 414.39 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215282
Molecular FormulaC20H17F3N6O
Molecular Weight414.39 g/mol
Exact Mass414.14
IUPAC Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1ccc(NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)cn2)cc1C(F)(F)F
InChIInChI=1S/C20H17F3N6O/c1-11-2-4-14(7-16(11)20(21,22)23)26-18(30)10-29-9-13(8-25-29)12-3-5-15-17(6-12)27-28-19(15)24/h2-9H,10H2,1H3,(H,26,30)(H3,24,27,28)
InChIKeyDIIQAJOSYHMZBG-UHFFFAOYSA-N
XLogP3.97
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.39
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 163215282) is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is Cc1ccc(NC(=O)Cn2cc(-c3ccc4c(N)n[nH]c4c3)cn2)cc1C(F)(F)F.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DIIQAJOSYHMZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N6O/c1-11-2-4-14(7-16(11)20(21,22)23)26-18(30)10-29-9-13(8-25-29)12-3-5-15-17(6-12)27-28-19(15)24/h2-9H,10H2,1H3,(H,26,30)(H3,24,27,28).
What are the key properties of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 414.39 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).