1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide

C20H20ClN3O — CID 53034337

IUPAC1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H20ClN3O/c21-17-9-5-14(6-10-17)13-24-19-11-15(7-8-16(19)12-22-24)20(25)23-18-3-1-2-4-18/h5-12,18H,1-4,13H2,(H,23,25)
InChIKeyWXQRUBQJZRDVST-UHFFFAOYSA-N
MW353.85 g/mol
LogP4.41
Rot. Bonds4

About 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide

1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide (PubChem CID 53034337) has the molecular formula C20H20ClN3O and a molecular weight of 353.85 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
PubChem CID53034337
Molecular FormulaC20H20ClN3O
Molecular Weight353.85 g/mol
Exact Mass353.13
IUPAC Name1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
SMILESO=C(NC1CCCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C20H20ClN3O/c21-17-9-5-14(6-10-17)13-24-19-11-15(7-8-16(19)12-22-24)20(25)23-18-3-1-2-4-18/h5-12,18H,1-4,13H2,(H,23,25)
InChIKeyWXQRUBQJZRDVST-UHFFFAOYSA-N
XLogP4.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide (CID 53034337) is 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide is O=C(NC1CCCC1)c1ccc2cnn(Cc3ccc(Cl)cc3)c2c1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide?
The InChIKey is WXQRUBQJZRDVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O/c21-17-9-5-14(6-10-17)13-24-19-11-15(7-8-16(19)12-22-24)20(25)23-18-3-1-2-4-18/h5-12,18H,1-4,13H2,(H,23,25).
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide?
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide has a molecular weight of 353.85 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide is sourced from PubChem (CID 53034337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).