4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

C13H21ClN4O2 — CID 19266741

IUPAC4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCCCN2CCOCC2)nn1C
InChIInChI=1S/C13H21ClN4O2/c1-10-11(14)12(16-17(10)2)13(19)15-4-3-5-18-6-8-20-9-7-18/h3-9H2,1-2H3,(H,15,19)
InChIKeyYMOUZTHJBUHSTA-UHFFFAOYSA-N
MW300.79 g/mol
LogP0.83
Rot. Bonds5

About 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide

4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (PubChem CID 19266741) has the molecular formula C13H21ClN4O2 and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
PubChem CID19266741
Molecular FormulaC13H21ClN4O2
Molecular Weight300.79 g/mol
Exact Mass300.14
IUPAC Name4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NCCCN2CCOCC2)nn1C
InChIInChI=1S/C13H21ClN4O2/c1-10-11(14)12(16-17(10)2)13(19)15-4-3-5-18-6-8-20-9-7-18/h3-9H2,1-2H3,(H,15,19)
InChIKeyYMOUZTHJBUHSTA-UHFFFAOYSA-N
XLogP0.83
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-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

1,5-dimethyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazole-3-carboxamide
CID 19266451
1-methyl-N-(3-morpholin-4-ylpropyl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 82585530
1-methyl-4-(3-morpholin-4-ylpropylcarbamoyl)pyrazole-3-carboxylic acid
CID 19624113
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
CID 47141788
4-chloro-1,5-dimethyl-N-[2-(propanoylamino)ethyl]pyrazole-3-carboxamide
CID 44823734
2-methyl-N-(3-morpholin-4-ylpropyl)-1H-imidazole-5-carboxamide
CID 110467560
4-chloro-6-methyl-N-(3-morpholin-4-ylpropyl)pyridine-3-carboxamide
CID 81226039
2-[4-chloro-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(3-morpholin-4-ylpropyl)acetamide
CID 19517448
1-(4-chlorophenyl)-5-methyl-N-(3-morpholin-4-ylpropyl)-1,2,4-triazole-3-carboxamide
CID 78824722
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
(4-chloro-1,5-dimethylpyrazol-3-yl)-[3-(morpholin-4-ylmethyl)azetidin-1-yl]methanone
CID 138035622
5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide (CID 19266741) is 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NCCCN2CCOCC2)nn1C.
What is the InChIKey of 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
The InChIKey is YMOUZTHJBUHSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O2/c1-10-11(14)12(16-17(10)2)13(19)15-4-3-5-18-6-8-20-9-7-18/h3-9H2,1-2H3,(H,15,19).
What are the key properties of 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide?
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide has a molecular weight of 300.79 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19266741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).