3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide

C21H17ClN4O — CID 51033073

IUPAC3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide
SMILESNc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H17ClN4O/c22-16-8-11-19-18(13-16)20(23)25-26(19)21(27)24-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,23,25)(H,24,27)
InChIKeyBXYYLMAKXXHANI-UHFFFAOYSA-N
MW376.85 g/mol
LogP4.94
Rot. Bonds3

About 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide

3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide (PubChem CID 51033073) has the molecular formula C21H17ClN4O and a molecular weight of 376.85 g/mol. Its IUPAC name is 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide
PubChem CID51033073
Molecular FormulaC21H17ClN4O
Molecular Weight376.85 g/mol
Exact Mass376.11
IUPAC Name3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide
SMILESNc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C21H17ClN4O/c22-16-8-11-19-18(13-16)20(23)25-26(19)21(27)24-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,23,25)(H,24,27)
InChIKeyBXYYLMAKXXHANI-UHFFFAOYSA-N
XLogP4.94
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide?
The IUPAC name of 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide (CID 51033073) is 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide?
The canonical SMILES for 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide is Nc1nn(C(=O)Nc2ccc(Cc3ccccc3)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide?
The InChIKey is BXYYLMAKXXHANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O/c22-16-8-11-19-18(13-16)20(23)25-26(19)21(27)24-17-9-6-15(7-10-17)12-14-4-2-1-3-5-14/h1-11,13H,12H2,(H2,23,25)(H,24,27).
What are the key properties of 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide?
3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide has a molecular weight of 376.85 g/mol, XLogP of 4.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-benzylphenyl)-5-chloroindazole-1-carboxamide is sourced from PubChem (CID 51033073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).