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

C22H19F3N6O2 — CID 163215256

IUPAC2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C22H19F3N6O2/c1-12-3-5-16(8-18(12)22(23,24)25)28-20(33)11-31-10-15(9-26-31)14-4-6-17-19(7-14)29-30-21(17)27-13(2)32/h3-10H,11H2,1-2H3,(H,28,33)(H2,27,29,30,32)
InChIKeyHWNBVURVCAFKST-UHFFFAOYSA-N
MW456.43 g/mol
LogP4.35
Rot. Bonds5

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

2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 163215256) has the molecular formula C22H19F3N6O2 and a molecular weight of 456.43 g/mol. Its IUPAC name is 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
PubChem CID163215256
Molecular FormulaC22H19F3N6O2
Molecular Weight456.43 g/mol
Exact Mass456.15
IUPAC Name2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12
InChIInChI=1S/C22H19F3N6O2/c1-12-3-5-16(8-18(12)22(23,24)25)28-20(33)11-31-10-15(9-26-31)14-4-6-17-19(7-14)29-30-21(17)27-13(2)32/h3-10H,11H2,1-2H3,(H,28,33)(H2,27,29,30,32)
InChIKeyHWNBVURVCAFKST-UHFFFAOYSA-N
XLogP4.35
TPSA104.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.43
LogP ≤ 54.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide (CID 163215256) is 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1n[nH]c2cc(-c3cnn(CC(=O)Nc4ccc(C)c(C(F)(F)F)c4)c3)ccc12.
What is the InChIKey of 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HWNBVURVCAFKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N6O2/c1-12-3-5-16(8-18(12)22(23,24)25)28-20(33)11-31-10-15(9-26-31)14-4-6-17-19(7-14)29-30-21(17)27-13(2)32/h3-10H,11H2,1-2H3,(H,28,33)(H2,27,29,30,32).
What are the key properties of 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide?
2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 456.43 g/mol, XLogP of 4.35, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-acetamido-1H-indazol-6-yl)pyrazol-1-yl]-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 163215256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).