1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide

C20H22ClN3O2 — CID 55585824

IUPAC1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)o1
InChIInChI=1S/C20H22ClN3O2/c1-12(2)19-17(11-22-24(19)16-8-6-15(21)7-9-16)20(25)23-14(4)18-10-5-13(3)26-18/h5-12,14H,1-4H3,(H,23,25)
InChIKeyZAMBFBNVXKAXLP-UHFFFAOYSA-N
MW371.87 g/mol
LogP5.04
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide (PubChem CID 55585824) has the molecular formula C20H22ClN3O2 and a molecular weight of 371.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
PubChem CID55585824
Molecular FormulaC20H22ClN3O2
Molecular Weight371.87 g/mol
Exact Mass371.14
IUPAC Name1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)o1
InChIInChI=1S/C20H22ClN3O2/c1-12(2)19-17(11-22-24(19)16-8-6-15(21)7-9-16)20(25)23-14(4)18-10-5-13(3)26-18/h5-12,14H,1-4H3,(H,23,25)
InChIKeyZAMBFBNVXKAXLP-UHFFFAOYSA-N
XLogP5.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.87
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-methoxy-5-propan-2-ylpyrazole-4-carboxamide
CID 43057524
N-[1-(3-acetamidophenyl)ethyl]-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 46580476
N-(2-aminoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 119383145
1-(4-chlorophenyl)-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55894145
N-(5-chloro-2-hydroxyphenyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 56581255
1-(4-chlorophenyl)-N-(3-hydroxypropyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 78854387
N-(2-anilino-2-oxoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 55957523
2-bromo-4-chloro-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 103764047
N-(2-benzamidoethyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 31839795
N-(3-aminobutyl)-1-(4-chlorophenyl)-5-propan-2-ylpyrazole-4-carboxamide;hydrochloride
CID 119496336
1-(4-chlorophenyl)-N-[2-(diethylamino)propyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 55676094
1-(4-chlorophenyl)-N-[4-(dimethylcarbamoyl)phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 39694176

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide (CID 55585824) is 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide is Cc1ccc(C(C)NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)o1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is ZAMBFBNVXKAXLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O2/c1-12(2)19-17(11-22-24(19)16-8-6-15(21)7-9-16)20(25)23-14(4)18-10-5-13(3)26-18/h5-12,14H,1-4H3,(H,23,25).
What are the key properties of 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 371.87 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[1-(5-methylfuran-2-yl)ethyl]-5-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 55585824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).