2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide

C20H24N4O3S — CID 42285801

IUPAC2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C2CC2)c1
InChIInChI=1S/C20H24N4O3S/c1-28-16-4-2-3-15(11-16)21-19(25)13-24-18(14-5-6-14)12-17(22-24)20(26)23-7-9-27-10-8-23/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)
InChIKeyGTWZIZYVLWQINQ-UHFFFAOYSA-N
MW400.50 g/mol
LogP2.59
Rot. Bonds6

About 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide

2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide (PubChem CID 42285801) has the molecular formula C20H24N4O3S and a molecular weight of 400.50 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
PubChem CID42285801
Molecular FormulaC20H24N4O3S
Molecular Weight400.50 g/mol
Exact Mass400.16
IUPAC Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide
SMILESCSc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C2CC2)c1
InChIInChI=1S/C20H24N4O3S/c1-28-16-4-2-3-15(11-16)21-19(25)13-24-18(14-5-6-14)12-17(22-24)20(26)23-7-9-27-10-8-23/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25)
InChIKeyGTWZIZYVLWQINQ-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 42285783
2-(2-methylmorpholin-4-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 17486154
2-(4-benzoylpiperazin-1-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 9223624
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42285700
2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 19520265
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-(3-acetamidophenyl)-2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]acetamide
CID 42285782
2-isocyano-N-(3-methylsulfanylphenyl)acetamide
CID 108814742
2-(4-methyl-1-oxophthalazin-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 51208453
N-(3-chlorophenyl)-2-[3-(morpholine-4-carbonyl)indazol-1-yl]acetamide
CID 46378667
(2S)-N-(2,3-dihydro-1-benzofuran-5-yl)-1-[2-(3-methylsulfanylanilino)-2-oxoethyl]piperidine-2-carboxamide
CID 95775426
N-(3-methylsulfanylphenyl)-2-(2-oxo-3H-1,4-benzoxazin-4-yl)acetamide
CID 39058981

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide (CID 42285801) is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide is CSc1cccc(NC(=O)Cn2nc(C(=O)N3CCOCC3)cc2C2CC2)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
The InChIKey is GTWZIZYVLWQINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3S/c1-28-16-4-2-3-15(11-16)21-19(25)13-24-18(14-5-6-14)12-17(22-24)20(26)23-7-9-27-10-8-23/h2-4,11-12,14H,5-10,13H2,1H3,(H,21,25).
What are the key properties of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide?
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide has a molecular weight of 400.50 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-(3-methylsulfanylphenyl)acetamide is sourced from PubChem (CID 42285801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).