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

C19H15F3N6O — CID 163215281

IUPAC2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C19H15F3N6O/c20-19(21,22)13-2-1-3-14(7-13)25-17(29)10-28-9-12(8-24-28)11-4-5-15-16(6-11)26-27-18(15)23/h1-9H,10H2,(H,25,29)(H3,23,26,27)
InChIKeyFHTPBVYWWVPCHK-UHFFFAOYSA-N
MW400.36 g/mol
LogP3.67
Rot. Bonds4

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

2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215281) has the molecular formula C19H15F3N6O and a molecular weight of 400.36 g/mol. Its IUPAC name is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215281
Molecular FormulaC19H15F3N6O
Molecular Weight400.36 g/mol
Exact Mass400.13
IUPAC Name2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C19H15F3N6O/c20-19(21,22)13-2-1-3-14(7-13)25-17(29)10-28-9-12(8-24-28)11-4-5-15-16(6-11)26-27-18(15)23/h1-9H,10H2,(H,25,29)(H3,23,26,27)
InChIKeyFHTPBVYWWVPCHK-UHFFFAOYSA-N
XLogP3.67
TPSA101.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.36
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]pyrazole-4-carboxamide
CID 163215261
5-(1-Benzyl-1h-1,2,3-triazol-4-yl)-1h-indazol-3-amine
CID 25164469
N-[2-[[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]amino]ethyl]acetamide
CID 118959880
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]acetamide
CID 118960270
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-(pyridin-3-ylamino)-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215252
N-[6-[3,5-dimethyl-1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215254
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215256
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 163215257
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 163215264
1-methyl-N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]piperidine-4-carboxamide
CID 163215267
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[4-[3-[(1-methylpyrazol-4-yl)amino]-1H-indazol-6-yl]pyrazol-1-yl]acetamide
CID 163215269
N-[6-[1-[2-[4-methyl-3-(trifluoromethyl)anilino]-2-oxoethyl]pyrazol-4-yl]-1H-indazol-3-yl]cyclopropanecarboxamide
CID 163215272

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 163215281) is 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4cccc(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FHTPBVYWWVPCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3N6O/c20-19(21,22)13-2-1-3-14(7-13)25-17(29)10-28-9-12(8-24-28)11-4-5-15-16(6-11)26-27-18(15)23/h1-9H,10H2,(H,25,29)(H3,23,26,27).
What are the key properties of 2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-amino-1H-indazol-6-yl)pyrazol-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 400.36 g/mol, XLogP of 3.67, 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-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).