5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

C18H25ClN4O3 — CID 19448384

IUPAC5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl
InChIInChI=1S/C18H25ClN4O3/c1-13-17(19)14(2)23(21-13)12-15-4-5-16(26-15)18(24)20-6-3-7-22-8-10-25-11-9-22/h4-5H,3,6-12H2,1-2H3,(H,20,24)
InChIKeyZSAMFQULHYOKNJ-UHFFFAOYSA-N
MW380.88 g/mol
LogP2.25
Rot. Bonds7

About 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide

5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (PubChem CID 19448384) has the molecular formula C18H25ClN4O3 and a molecular weight of 380.88 g/mol. Its IUPAC name is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
PubChem CID19448384
Molecular FormulaC18H25ClN4O3
Molecular Weight380.88 g/mol
Exact Mass380.16
IUPAC Name5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide
SMILESCc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl
InChIInChI=1S/C18H25ClN4O3/c1-13-17(19)14(2)23(21-13)12-15-4-5-16(26-15)18(24)20-6-3-7-22-8-10-25-11-9-22/h4-5H,3,6-12H2,1-2H3,(H,20,24)
InChIKeyZSAMFQULHYOKNJ-UHFFFAOYSA-N
XLogP2.25
TPSA72.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-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 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The IUPAC name of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide (CID 19448384) is 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The canonical SMILES for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is Cc1nn(Cc2ccc(C(=O)NCCCN3CCOCC3)o2)c(C)c1Cl.
What is the InChIKey of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
The InChIKey is ZSAMFQULHYOKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O3/c1-13-17(19)14(2)23(21-13)12-15-4-5-16(26-15)18(24)20-6-3-7-22-8-10-25-11-9-22/h4-5H,3,6-12H2,1-2H3,(H,20,24).
What are the key properties of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide?
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-morpholin-4-ylpropyl)furan-2-carboxamide is sourced from PubChem (CID 19448384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).