1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide

C21H20Cl2N4O3 — CID 3891235

IUPAC1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCNC3=O)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C21H20Cl2N4O3/c1-12-5-8-19(30-12)17-11-18(21(29)25-16-4-2-3-9-24-20(16)28)27(26-17)13-6-7-14(22)15(23)10-13/h5-8,10-11,16H,2-4,9H2,1H3,(H,24,28)(H,25,29)
InChIKeyNMOJNZIHXUCKQL-UHFFFAOYSA-N
MW447.32 g/mol
LogP4.15
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide

1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide (PubChem CID 3891235) has the molecular formula C21H20Cl2N4O3 and a molecular weight of 447.32 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
PubChem CID3891235
Molecular FormulaC21H20Cl2N4O3
Molecular Weight447.32 g/mol
Exact Mass446.09
IUPAC Name1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC3CCCCNC3=O)n(-c3ccc(Cl)c(Cl)c3)n2)o1
InChIInChI=1S/C21H20Cl2N4O3/c1-12-5-8-19(30-12)17-11-18(21(29)25-16-4-2-3-9-24-20(16)28)27(26-17)13-6-7-14(22)15(23)10-13/h5-8,10-11,16H,2-4,9H2,1H3,(H,24,28)(H,25,29)
InChIKeyNMOJNZIHXUCKQL-UHFFFAOYSA-N
XLogP4.15
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.32
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-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-(4-chlorophenyl)-3-(4-fluorophenyl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide
CID 5041512
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 3321117
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
CID 5187683
1-(3-methylphenyl)-N-(2-oxoazepan-3-yl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 42762100
1-(2,4-dimethylphenyl)-3-(furan-2-yl)-N-[(3R)-2-oxoazepan-3-yl]pyrazole-5-carboxamide
CID 1053817
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 3546360
3-(5-methylfuran-2-yl)-N-(2-oxopiperidin-3-yl)-1-phenylpyrazole-4-carboxamide
CID 71882633
5-methyl-1-(4-methylphenyl)-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146126262
1-(3-chlorophenyl)-3-(5-methylfuran-2-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]pyrazole-5-carboxamide
CID 3514821
1-(2-chlorophenyl)-4-methyl-N-(2-oxoazepan-3-yl)pyrazole-3-carboxamide
CID 146124206
1-[5-methyl-1-(4-methylphenyl)pyrazol-3-yl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 97335863
2,4-dimethyl-6-oxo-N-(2-oxoazepan-3-yl)pyran-3-carboxamide
CID 4553699

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide?
The IUPAC name of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide (CID 3891235) is 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC3CCCCNC3=O)n(-c3ccc(Cl)c(Cl)c3)n2)o1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide?
The InChIKey is NMOJNZIHXUCKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl2N4O3/c1-12-5-8-19(30-12)17-11-18(21(29)25-16-4-2-3-9-24-20(16)28)27(26-17)13-6-7-14(22)15(23)10-13/h5-8,10-11,16H,2-4,9H2,1H3,(H,24,28)(H,25,29).
What are the key properties of 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide?
1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide has a molecular weight of 447.32 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-3-(5-methylfuran-2-yl)-N-(2-oxoazepan-3-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 3891235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).