2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

C23H19F3N6O2 — CID 137434664

IUPAC2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CC(N)=O
InChIInChI=1S/C23H19F3N6O2/c1-13-9-14(21-28-11-15-10-16(23(24,25)26)4-5-17(15)30-21)3-6-18(13)31(2)22(34)19-7-8-29-32(19)12-20(27)33/h3-11H,12H2,1-2H3,(H2,27,33)
InChIKeyZABBMZCBZRJTKB-UHFFFAOYSA-N
MW468.44 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 137434664) has the molecular formula C23H19F3N6O2 and a molecular weight of 468.44 g/mol. Its IUPAC name is 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID137434664
Molecular FormulaC23H19F3N6O2
Molecular Weight468.44 g/mol
Exact Mass468.15
IUPAC Name2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CC(N)=O
InChIInChI=1S/C23H19F3N6O2/c1-13-9-14(21-28-11-15-10-16(23(24,25)26)4-5-17(15)30-21)3-6-18(13)31(2)22(34)19-7-8-29-32(19)12-20(27)33/h3-11H,12H2,1-2H3,(H2,27,33)
InChIKeyZABBMZCBZRJTKB-UHFFFAOYSA-N
XLogP3.58
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (CID 137434664) is 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1ccnn1CC(N)=O.
What is the InChIKey of 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is ZABBMZCBZRJTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O2/c1-13-9-14(21-28-11-15-10-16(23(24,25)26)4-5-17(15)30-21)3-6-18(13)31(2)22(34)19-7-8-29-32(19)12-20(27)33/h3-11H,12H2,1-2H3,(H2,27,33).
What are the key properties of 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-2-oxoethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137434664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).