N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide

C21H23N3O — CID 129191372

IUPACN-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)C3CCCC3)cc2)cc2cn[nH]c12
InChIInChI=1S/C21H23N3O/c1-14-11-17(12-18-13-22-23-20(14)18)15-7-9-16(10-8-15)21(25)24(2)19-5-3-4-6-19/h7-13,19H,3-6H2,1-2H3,(H,22,23)
InChIKeySADPHIKRKJIZCY-UHFFFAOYSA-N
MW333.44 g/mol
LogP4.55
Rot. Bonds3

About N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide

N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide (PubChem CID 129191372) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide
PubChem CID129191372
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC NameN-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide
SMILESCc1cc(-c2ccc(C(=O)N(C)C3CCCC3)cc2)cc2cn[nH]c12
InChIInChI=1S/C21H23N3O/c1-14-11-17(12-18-13-22-23-20(14)18)15-7-9-16(10-8-15)21(25)24(2)19-5-3-4-6-19/h7-13,19H,3-6H2,1-2H3,(H,22,23)
InChIKeySADPHIKRKJIZCY-UHFFFAOYSA-N
XLogP4.55
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide?
The IUPAC name of N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide (CID 129191372) is N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide.
What is the SMILES notation for N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide?
The canonical SMILES for N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide is Cc1cc(-c2ccc(C(=O)N(C)C3CCCC3)cc2)cc2cn[nH]c12.
What is the InChIKey of N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide?
The InChIKey is SADPHIKRKJIZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O/c1-14-11-17(12-18-13-22-23-20(14)18)15-7-9-16(10-8-15)21(25)24(2)19-5-3-4-6-19/h7-13,19H,3-6H2,1-2H3,(H,22,23).
What are the key properties of N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide?
N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide has a molecular weight of 333.44 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-4-(7-methyl-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 129191372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).