3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide

C24H23F3N6O — CID 42483287

IUPAC3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
SMILESCc1ccnn1CCC(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C24H23F3N6O/c1-16-9-11-30-33(16)12-10-22(34)28-15-21-31-20-8-3-2-7-19(20)23(32-21)29-14-17-5-4-6-18(13-17)24(25,26)27/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,34)(H,29,31,32)
InChIKeyJBUOJGIHZJQNCB-UHFFFAOYSA-N
MW468.48 g/mol
LogP4.47
Rot. Bonds8

About 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide

3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide (PubChem CID 42483287) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
PubChem CID42483287
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide
SMILESCc1ccnn1CCC(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1
InChIInChI=1S/C24H23F3N6O/c1-16-9-11-30-33(16)12-10-22(34)28-15-21-31-20-8-3-2-7-19(20)23(32-21)29-14-17-5-4-6-18(13-17)24(25,26)27/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,34)(H,29,31,32)
InChIKeyJBUOJGIHZJQNCB-UHFFFAOYSA-N
XLogP4.47
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide with MolForge

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Related Compounds

2-chloro-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]pyridine-4-carboxamide
CID 26361398
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]ethanesulfonamide
CID 26349972
N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]benzenesulfonamide
CID 42470959
2-cyclohexyl-N-[[3-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 69222459
3-(4-bromopyrazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 35322160
6-oxo-6-[[3-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 43529482
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
2-[3-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 26241577
2-(6-phenylpyridazin-3-yl)sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 6402505
2-pyrimidin-2-ylsulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 4271129
2-(furan-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749451
2-(4-methyl-1-oxophthalazin-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 29417044

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide?
The IUPAC name of 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide (CID 42483287) is 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide?
The canonical SMILES for 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide is Cc1ccnn1CCC(=O)NCc1nc(NCc2cccc(C(F)(F)F)c2)c2ccccc2n1.
What is the InChIKey of 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide?
The InChIKey is JBUOJGIHZJQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-16-9-11-30-33(16)12-10-22(34)28-15-21-31-20-8-3-2-7-19(20)23(32-21)29-14-17-5-4-6-18(13-17)24(25,26)27/h2-9,11,13H,10,12,14-15H2,1H3,(H,28,34)(H,29,31,32).
What are the key properties of 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide?
3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide has a molecular weight of 468.48 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methylpyrazol-1-yl)-N-[[4-[[3-(trifluoromethyl)phenyl]methylamino]quinazolin-2-yl]methyl]propanamide is sourced from PubChem (CID 42483287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).