N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

C23H20F3N5O — CID 137434745

IUPACN,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1C
InChIInChI=1S/C23H20F3N5O/c1-13-9-15(5-6-18(13)30(3)22(32)19-7-8-28-31(19)4)21-27-12-16-11-17(23(24,25)26)10-14(2)20(16)29-21/h5-12H,1-4H3
InChIKeyAAIZXUDQBIJSHV-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.94
Rot. Bonds3

About N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide

N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (PubChem CID 137434745) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
PubChem CID137434745
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC NameN,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1C
InChIInChI=1S/C23H20F3N5O/c1-13-9-15(5-6-18(13)30(3)22(32)19-7-8-28-31(19)4)21-27-12-16-11-17(23(24,25)26)10-14(2)20(16)29-21/h5-12H,1-4H3
InChIKeyAAIZXUDQBIJSHV-UHFFFAOYSA-N
XLogP4.94
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide (CID 137434745) is N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is Cc1cc(-c2ncc3cc(C(F)(F)F)cc(C)c3n2)ccc1N(C)C(=O)c1ccnn1C.
What is the InChIKey of N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
The InChIKey is AAIZXUDQBIJSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-13-9-15(5-6-18(13)30(3)22(32)19-7-8-28-31(19)4)21-27-12-16-11-17(23(24,25)26)10-14(2)20(16)29-21/h5-12H,1-4H3.
What are the key properties of N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide?
N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide has a molecular weight of 439.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-methyl-4-[8-methyl-6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 137434745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).