4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

C17H21ClN4O2 — CID 843671

IUPAC4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C17H21ClN4O2/c1-2-22-12-15(18)16(20-22)17(23)19-14-5-3-4-13(10-14)11-21-6-8-24-9-7-21/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23)
InChIKeyHHWYOKGVYJRMDI-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.64
Rot. Bonds5

About 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide

4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide (PubChem CID 843671) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
PubChem CID843671
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide
SMILESCCn1cc(Cl)c(C(=O)Nc2cccc(CN3CCOCC3)c2)n1
InChIInChI=1S/C17H21ClN4O2/c1-2-22-12-15(18)16(20-22)17(23)19-14-5-3-4-13(10-14)11-21-6-8-24-9-7-21/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23)
InChIKeyHHWYOKGVYJRMDI-UHFFFAOYSA-N
XLogP2.64
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]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

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide (CID 843671) is 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide is CCn1cc(Cl)c(C(=O)Nc2cccc(CN3CCOCC3)c2)n1.
What is the InChIKey of 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is HHWYOKGVYJRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-2-22-12-15(18)16(20-22)17(23)19-14-5-3-4-13(10-14)11-21-6-8-24-9-7-21/h3-5,10,12H,2,6-9,11H2,1H3,(H,19,23).
What are the key properties of 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide?
4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[3-(morpholin-4-ylmethyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 843671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).