2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide

C18H16ClF3N4O2 — CID 110279376

IUPAC2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)cnc2c1
InChIInChI=1S/C18H16ClF3N4O2/c1-9-15(19)16(18(20,21)22)25-26(9)10(2)17(27)24-12-6-11-4-5-13(28-3)7-14(11)23-8-12/h4-8,10H,1-3H3,(H,24,27)
InChIKeyOCDHGQZWDXWHPQ-UHFFFAOYSA-N
MW412.80 g/mol
LogP4.62
Rot. Bonds4

About 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide (PubChem CID 110279376) has the molecular formula C18H16ClF3N4O2 and a molecular weight of 412.80 g/mol. Its IUPAC name is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide.

Molecular Properties

Compound Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
PubChem CID110279376
Molecular FormulaC18H16ClF3N4O2
Molecular Weight412.80 g/mol
Exact Mass412.09
IUPAC Name2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)cnc2c1
InChIInChI=1S/C18H16ClF3N4O2/c1-9-15(19)16(18(20,21)22)25-26(9)10(2)17(27)24-12-6-11-4-5-13(28-3)7-14(11)23-8-12/h4-8,10H,1-3H3,(H,24,27)
InChIKeyOCDHGQZWDXWHPQ-UHFFFAOYSA-N
XLogP4.62
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.80
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(7-methoxyquinolin-3-yl)-2-(5-methylpyrazol-1-yl)propanamide
CID 95744977
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-methylphenoxy)-5-nitrophenyl]propanamide
CID 19531915
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(4-chlorophenoxy)-5-nitrophenyl]propanamide
CID 19531909
(2S)-N-(4-acetylphenyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 39854340
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 71825572
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methyl-3,5-dinitrophenyl)propanamide
CID 19531974
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 4769596
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(7-methoxyquinolin-3-yl)acetamide
CID 95744862
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]propanamide
CID 19532067
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[3-(3-methylphenoxy)-5-nitrophenyl]propanamide
CID 19531914
N-(7-methoxyquinolin-3-yl)-1-methylpyrazole-3-carboxamide
CID 95744911

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The IUPAC name of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide (CID 110279376) is 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide.
What is the SMILES notation for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The canonical SMILES for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide is COc1ccc2cc(NC(=O)C(C)n3nc(C(F)(F)F)c(Cl)c3C)cnc2c1.
What is the InChIKey of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
The InChIKey is OCDHGQZWDXWHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O2/c1-9-15(19)16(18(20,21)22)25-26(9)10(2)17(27)24-12-6-11-4-5-13(28-3)7-14(11)23-8-12/h4-8,10H,1-3H3,(H,24,27).
What are the key properties of 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide?
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide has a molecular weight of 412.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide is sourced from PubChem (CID 110279376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).