methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate

C24H20F3N5O3 — CID 137425297

IUPACmethyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N(C)c2ccc(-c3ncc4cc(C(F)(F)F)ccc4n3)cc2C)n(C)n1
InChIInChI=1S/C24H20F3N5O3/c1-13-9-14(21-28-12-15-10-16(24(25,26)27)6-7-17(15)29-21)5-8-19(13)31(2)22(33)20-11-18(23(34)35-4)30-32(20)3/h5-12H,1-4H3
InChIKeyFOZVYUHUBCXCCA-UHFFFAOYSA-N
MW483.45 g/mol
LogP4.42
Rot. Bonds4

About methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate

methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate (PubChem CID 137425297) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
PubChem CID137425297
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC Namemethyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C(=O)N(C)c2ccc(-c3ncc4cc(C(F)(F)F)ccc4n3)cc2C)n(C)n1
InChIInChI=1S/C24H20F3N5O3/c1-13-9-14(21-28-12-15-10-16(24(25,26)27)6-7-17(15)29-21)5-8-19(13)31(2)22(33)20-11-18(23(34)35-4)30-32(20)3/h5-12H,1-4H3
InChIKeyFOZVYUHUBCXCCA-UHFFFAOYSA-N
XLogP4.42
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamic acid
CID 137425160
N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-2H-triazole-4-carboxamide
CID 137425130
2-(2,3-dihydro-1H-tetrazol-5-ylmethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 142520430
N,2-dimethyl-N-[2-methyl-4-[6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425541
2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]aniline
CID 137425224
2-(2-hydroxyethyl)-N-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinolin-2-yl]phenyl]pyrazole-3-carboxamide
CID 137425322
methyl 6-(trifluoromethyl)quinoline-2-carboxylate
CID 82245392
N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-1H-pyrazole-5-carboxamide
CID 137434662
1-(2-hydroxyethyl)-4-methyl-N-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]pyrazole-5-sulfonamide
CID 139392239
N-[2-fluoro-4-[8-methyl-6-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-yl]phenyl]-N,2-dimethylpyrazole-3-carboxamide
CID 137434668
N-methoxy-N-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide;methyl 2-[4-(trifluoromethyl)phenyl]pyrimidine-5-carboxylate
CID 87417548
tert-butyl 2-[7-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]-8-oxo-5,6-dihydropyrazolo[3,4-f][1,4]oxazepin-2-yl]acetate
CID 139392292

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate?
The IUPAC name of methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate (CID 137425297) is methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate.
What is the SMILES notation for methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate?
The canonical SMILES for methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate is COC(=O)c1cc(C(=O)N(C)c2ccc(-c3ncc4cc(C(F)(F)F)ccc4n3)cc2C)n(C)n1.
What is the InChIKey of methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate?
The InChIKey is FOZVYUHUBCXCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-13-9-14(21-28-12-15-10-16(24(25,26)27)6-7-17(15)29-21)5-8-19(13)31(2)22(33)20-11-18(23(34)35-4)30-32(20)3/h5-12H,1-4H3.
What are the key properties of methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate?
methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate has a molecular weight of 483.45 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-5-[methyl-[2-methyl-4-[6-(trifluoromethyl)quinazolin-2-yl]phenyl]carbamoyl]pyrazole-3-carboxylate is sourced from PubChem (CID 137425297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).