1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide

C18H18ClN3O2 — CID 34838039

IUPAC1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3O2/c1-3-21(4-2)18(23)15-12-16(17-9-6-10-24-17)22(20-15)14-8-5-7-13(19)11-14/h5-12H,3-4H2,1-2H3
InChIKeyRAKMOJQEANPDRE-UHFFFAOYSA-N
MW343.81 g/mol
LogP4.27
Rot. Bonds5

About 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide

1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide (PubChem CID 34838039) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
PubChem CID34838039
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide
SMILESCCN(CC)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1
InChIInChI=1S/C18H18ClN3O2/c1-3-21(4-2)18(23)15-12-16(17-9-6-10-24-17)22(20-15)14-8-5-7-13(19)11-14/h5-12H,3-4H2,1-2H3
InChIKeyRAKMOJQEANPDRE-UHFFFAOYSA-N
XLogP4.27
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)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 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide (CID 34838039) is 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide is CCN(CC)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
The InChIKey is RAKMOJQEANPDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-3-21(4-2)18(23)15-12-16(17-9-6-10-24-17)22(20-15)14-8-5-7-13(19)11-14/h5-12H,3-4H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide?
1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide has a molecular weight of 343.81 g/mol, XLogP of 4.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N,N-diethyl-5-(furan-2-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 34838039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).