1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid

C12H18N4O4 — CID 19624075

IUPAC1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)NCCN2CCOCC2)c(C(=O)O)n1
InChIInChI=1S/C12H18N4O4/c1-15-8-9(10(14-15)12(18)19)11(17)13-2-3-16-4-6-20-7-5-16/h8H,2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyJKJDKZFTXSXXNA-UHFFFAOYSA-N
MW282.30 g/mol
LogP-0.82
Rot. Bonds5

About 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid

1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid (PubChem CID 19624075) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
PubChem CID19624075
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid
SMILESCn1cc(C(=O)NCCN2CCOCC2)c(C(=O)O)n1
InChIInChI=1S/C12H18N4O4/c1-15-8-9(10(14-15)12(18)19)11(17)13-2-3-16-4-6-20-7-5-16/h8H,2-7H2,1H3,(H,13,17)(H,18,19)
InChIKeyJKJDKZFTXSXXNA-UHFFFAOYSA-N
XLogP-0.82
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid 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

1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
1-methyl-4-(1-morpholin-4-ylpropan-2-ylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624112
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
3-(5-methylfuran-2-yl)-N-(2-morpholin-4-ylethyl)-1-phenylpyrazole-4-carboxamide
CID 51159400
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
1,2-dimethyl-N-(2-morpholin-4-ylethyl)pyrrole-3-carboxamide
CID 91130996
2-chloro-N-(2-morpholin-4-ylethyl)benzamide
CID 799090
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
2,5-dimethoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51072890
N-(2-morpholin-4-ylethyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2327183
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
N-(2-morpholin-4-ylethyl)-4-trimethylstannylthiophene-2-carboxamide
CID 23063748

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid (CID 19624075) is 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid is Cn1cc(C(=O)NCCN2CCOCC2)c(C(=O)O)n1.
What is the InChIKey of 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid?
The InChIKey is JKJDKZFTXSXXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-15-8-9(10(14-15)12(18)19)11(17)13-2-3-16-4-6-20-7-5-16/h8H,2-7H2,1H3,(H,13,17)(H,18,19).
What are the key properties of 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid?
1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of -0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-morpholin-4-ylethylcarbamoyl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 19624075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).