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

C22H21F3N6O — CID 163215264

IUPAC2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C22H21F3N6O/c1-3-26-21-17-7-5-14(8-19(17)29-30-21)15-10-27-31(11-15)12-20(32)28-16-6-4-13(2)18(9-16)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,28,32)(H2,26,29,30)
InChIKeyGROZGJKBSPHHCH-UHFFFAOYSA-N
MW442.45 g/mol
LogP4.82
Rot. Bonds6

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

2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215264) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215264
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCCNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C22H21F3N6O/c1-3-26-21-17-7-5-14(8-19(17)29-30-21)15-10-27-31(11-15)12-20(32)28-16-6-4-13(2)18(9-16)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,28,32)(H2,26,29,30)
InChIKeyGROZGJKBSPHHCH-UHFFFAOYSA-N
XLogP4.82
TPSA87.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-(pyridin-4-yl)-1H-indazol-3-yl)butyramide
CID 10085059
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
CID 126740623
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
N-[6-(1H-indol-5-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539595
N-(6-(pyridin-3-yl)-1H-indazol-3-yl)butyramide
CID 10016510
N-[1-[4-(6-methyl-3-pyridinyl)cyclohexyl]azetidin-3-yl]-2-[[5-(trifluoromethyl)-1H-indazol-3-yl]amino]acetamide
CID 56675205
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-6-yl)acetamide
CID 118560488
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
US10246426, Example 6
CID 118962193
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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 163215264) is 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is CCNc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GROZGJKBSPHHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-3-26-21-17-7-5-14(8-19(17)29-30-21)15-10-27-31(11-15)12-20(32)28-16-6-4-13(2)18(9-16)22(23,24)25/h4-11H,3,12H2,1-2H3,(H,28,32)(H2,26,29,30).
What are the key properties of 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 442.45 g/mol, XLogP of 4.82, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(ethylamino)-1H-indazol-6-yl]pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).