5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

C12H19ClN4O2 — CID 47141788

IUPAC5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O2/c1-9-10(11(13)16(2)15-9)12(18)14-3-4-17-5-7-19-8-6-17/h3-8H2,1-2H3,(H,14,18)
InChIKeyXGEHUDNYEAZRDK-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.44
Rot. Bonds4

About 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide

5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (PubChem CID 47141788) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
PubChem CID47141788
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide
SMILESCc1nn(C)c(Cl)c1C(=O)NCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O2/c1-9-10(11(13)16(2)15-9)12(18)14-3-4-17-5-7-19-8-6-17/h3-8H2,1-2H3,(H,14,18)
InChIKeyXGEHUDNYEAZRDK-UHFFFAOYSA-N
XLogP0.44
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-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

5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
1,3-dimethyl-N-(2-morpholin-4-ylethyl)-4-nitropyrazole-5-carboxamide
CID 19480855
3,5-dimethyl-N-(2-morpholin-4-ylethyl)-1H-pyrazole-4-carboxamide
CID 43582644
5-chloro-1,3-dimethyl-N-(oxolan-3-ylmethyl)pyrazole-4-carboxamide
CID 47182890
2,4-dimethyl-N-(2-morpholin-4-ylethyl)-1,3-oxazole-5-carboxamide
CID 110684800
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
4-chloro-1,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazole-3-carboxamide
CID 19266741
2,3-dimethyl-N-(2-morpholin-4-ylethyl)-5-oxo-1,2-oxazole-4-carboxamide
CID 110680945
4-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 803484
1-methyl-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
CID 19262651
2-methyl-N-(2-morpholin-4-ylethyl)triazole-4-carboxamide
CID 110691363
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-morpholin-4-ylethyl)acetamide
CID 77078700

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide (CID 47141788) is 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is Cc1nn(C)c(Cl)c1C(=O)NCCN1CCOCC1.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
The InChIKey is XGEHUDNYEAZRDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c1-9-10(11(13)16(2)15-9)12(18)14-3-4-17-5-7-19-8-6-17/h3-8H2,1-2H3,(H,14,18).
What are the key properties of 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide?
5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide has a molecular weight of 286.76 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(2-morpholin-4-ylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 47141788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).