5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

C16H17ClN4O4 — CID 29095959

IUPAC5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O4/c1-20-14(11(9-18-20)16(23)24)15(22)19-10-2-3-13(12(17)8-10)21-4-6-25-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,19,22)(H,23,24)
InChIKeyNWHQBJFNHPMWRL-UHFFFAOYSA-N
MW364.79 g/mol
LogP1.86
Rot. Bonds4

About 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid

5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (PubChem CID 29095959) has the molecular formula C16H17ClN4O4 and a molecular weight of 364.79 g/mol. Its IUPAC name is 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
PubChem CID29095959
Molecular FormulaC16H17ClN4O4
Molecular Weight364.79 g/mol
Exact Mass364.09
IUPAC Name5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1
InChIInChI=1S/C16H17ClN4O4/c1-20-14(11(9-18-20)16(23)24)15(22)19-10-2-3-13(12(17)8-10)21-4-6-25-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,19,22)(H,23,24)
InChIKeyNWHQBJFNHPMWRL-UHFFFAOYSA-N
XLogP1.86
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.79
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

5-[[3-[(2-chlorobenzoyl)amino]phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 44823916
N-(3-chloro-4-morpholin-4-ylphenyl)-2,5-dimethylfuran-3-carboxamide
CID 2811743
5-bromo-2-chloro-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 3540597
5-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)pyridine-3-carboxamide
CID 1227119
2-chloro-4-[(1,5-dimethylpyrazole-4-carbonyl)amino]benzoic acid
CID 61398585
5-[[2-fluoro-4-(oxan-4-yl)phenyl]carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 154869333
N-(3-chloro-4-morpholin-4-ylphenyl)-3-methylbutanamide
CID 960696
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
N-(3-chloro-4-morpholin-4-ylphenyl)-3-morpholin-4-ylquinoxaline-2-carboxamide
CID 46249483
1-methyl-5-[(4-methyl-3-nitrophenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 29095731
N-(3-chloro-4-morpholin-4-ylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 1295863
5-[(2-methylbenzoyl)amino]-2-morpholin-4-ylbenzoic acid
CID 50807484

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid (CID 29095959) is 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1.
What is the InChIKey of 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
The InChIKey is NWHQBJFNHPMWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4/c1-20-14(11(9-18-20)16(23)24)15(22)19-10-2-3-13(12(17)8-10)21-4-6-25-7-5-21/h2-3,8-9H,4-7H2,1H3,(H,19,22)(H,23,24).
What are the key properties of 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid?
5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid has a molecular weight of 364.79 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-morpholin-4-ylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 29095959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).