N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

C18H22N4O4 — CID 56774902

IUPACN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3C)cc2)n(C)n1
InChIInChI=1S/C18H22N4O4/c1-11-8-14(22(3)20-11)18(25)19-13-6-4-12(5-7-13)17(24)15-9-26-10-16(23)21(15)2/h4-8,15,17,24H,9-10H2,1-3H3,(H,19,25)/t15-,17-/m1/s1
InChIKeyCRBIFTWMRGEZOZ-NVXWUHKLSA-N
MW358.40 g/mol
LogP0.87
Rot. Bonds4

About N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide

N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 56774902) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID56774902
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC NameN-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3C)cc2)n(C)n1
InChIInChI=1S/C18H22N4O4/c1-11-8-14(22(3)20-11)18(25)19-13-6-4-12(5-7-13)17(24)15-9-26-10-16(23)21(15)2/h4-8,15,17,24H,9-10H2,1-3H3,(H,19,25)/t15-,17-/m1/s1
InChIKeyCRBIFTWMRGEZOZ-NVXWUHKLSA-N
XLogP0.87
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774566
N-[4-[(R)-[(3R)-4-[(4-fluorophenyl)methyl]-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 56774688
N-(3,4-dimethylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685886
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
N-[4-(cyclopropylcarbamoyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024230
N-[4-(bromomethyl)phenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 114310907
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
2,5-dimethyl-N-[4-(1H-pyrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 61069082
N-[4-[(R)-[(3R)-4-(2-ethoxyethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]-2-ethylbutanamide
CID 56774911
N-[4-(2,5-dimethylphenyl)sulfanylphenyl]-2,5-dimethylpyrazole-3-carboxamide
CID 52694433
N-[4-[(R)-[(3R)-4-ethyl-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]cyclobutanecarboxamide
CID 56774563
N-[4-[(R)-[(3R)-4-(cyclohexylmethyl)-5-oxomorpholin-3-yl]-hydroxymethyl]phenyl]furan-2-carboxamide
CID 56774627

Frequently Asked Questions

What is the IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide (CID 56774902) is N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)Nc2ccc([C@@H](O)[C@H]3COCC(=O)N3C)cc2)n(C)n1.
What is the InChIKey of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is CRBIFTWMRGEZOZ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-11-8-14(22(3)20-11)18(25)19-13-6-4-12(5-7-13)17(24)15-9-26-10-16(23)21(15)2/h4-8,15,17,24H,9-10H2,1-3H3,(H,19,25)/t15-,17-/m1/s1.
What are the key properties of N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 358.40 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(R)-hydroxy-[(3R)-4-methyl-5-oxomorpholin-3-yl]methyl]phenyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 56774902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).