N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide

C23H20F3N5O — CID 137425494

IUPACN,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1c(C)cnn1C
InChIInChI=1S/C23H20F3N5O/c1-13-9-15(5-8-19(13)30(3)22(32)20-14(2)11-28-31(20)4)21-27-12-16-10-17(23(24,25)26)6-7-18(16)29-21/h5-12H,1-4H3
InChIKeyJISGHFPWCCOBPE-UHFFFAOYSA-N
MW439.44 g/mol
LogP4.94
Rot. Bonds3

About N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide

N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 137425494) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID137425494
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC NameN,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1c(C)cnn1C
InChIInChI=1S/C23H20F3N5O/c1-13-9-15(5-8-19(13)30(3)22(32)20-14(2)11-28-31(20)4)21-27-12-16-10-17(23(24,25)26)6-7-18(16)29-21/h5-12H,1-4H3
InChIKeyJISGHFPWCCOBPE-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,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide (CID 137425494) is N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide is Cc1cc(-c2ncc3cc(C(F)(F)F)ccc3n2)ccc1N(C)C(=O)c1c(C)cnn1C.
What is the InChIKey of N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is JISGHFPWCCOBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-13-9-15(5-8-19(13)30(3)22(32)20-14(2)11-28-31(20)4)21-27-12-16-10-17(23(24,25)26)6-7-18(16)29-21/h5-12H,1-4H3.
What are the key properties of N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide?
N,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-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,1,4-trimethyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 137425494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).