2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

C21H28N4O3 — CID 42285692

IUPAC2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C21H28N4O3/c1-16(8-9-18-6-4-3-5-7-18)22-20(26)15-25-17(2)14-19(23-25)21(27)24-10-12-28-13-11-24/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyCKSNULZRMAGZKT-MRXNPFEDSA-N
MW384.48 g/mol
LogP1.80
Rot. Bonds7

About 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide

2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (PubChem CID 42285692) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
PubChem CID42285692
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
SMILESCc1cc(C(=O)N2CCOCC2)nn1CC(=O)N[C@H](C)CCc1ccccc1
InChIInChI=1S/C21H28N4O3/c1-16(8-9-18-6-4-3-5-7-18)22-20(26)15-25-17(2)14-19(23-25)21(27)24-10-12-28-13-11-24/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)/t16-/m1/s1
InChIKeyCKSNULZRMAGZKT-MRXNPFEDSA-N
XLogP1.80
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-methyl-3-(4-methylpiperazine-1-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 42285756
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 42285700
1-morpholin-4-yl-3-(4-phenylbutan-2-ylamino)propan-1-one
CID 115676486
2-(2-oxopyrrolidin-1-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 47111292
2-(6-morpholin-4-ylsulfonyl-3-oxo-1,4-benzoxazin-4-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 20861537
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 8591270
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
2-(4-methyl-1-oxopyrrolo[1,2-d][1,2,4]triazin-2-yl)-N-(4-phenylbutan-2-yl)acetamide
CID 22514476
1-(5-methyl-1,2-oxazole-3-carbonyl)-N-(4-phenylbutan-2-yl)azetidine-3-carboxamide
CID 90511400
2-(3,4-dimethyl-7-oxo-[1,2]oxazolo[3,4-d]pyridazin-6-yl)-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 95064731

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The IUPAC name of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide (CID 42285692) is 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide.
What is the SMILES notation for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The canonical SMILES for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is Cc1cc(C(=O)N2CCOCC2)nn1CC(=O)N[C@H](C)CCc1ccccc1.
What is the InChIKey of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
The InChIKey is CKSNULZRMAGZKT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-16(8-9-18-6-4-3-5-7-18)22-20(26)15-25-17(2)14-19(23-25)21(27)24-10-12-28-13-11-24/h3-7,14,16H,8-13,15H2,1-2H3,(H,22,26)/t16-/m1/s1.
What are the key properties of 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide?
2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide has a molecular weight of 384.48 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[(2R)-4-phenylbutan-2-yl]acetamide is sourced from PubChem (CID 42285692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).