N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide

C20H21N3O — CID 129191428

IUPACN-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc3[nH]ncc3c2)cc1)C1CCCC1
InChIInChI=1S/C20H21N3O/c1-23(18-4-2-3-5-18)20(24)15-8-6-14(7-9-15)16-10-11-19-17(12-16)13-21-22-19/h6-13,18H,2-5H2,1H3,(H,21,22)
InChIKeyFWLGBRKFYZPLTE-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.24
Rot. Bonds3

About N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide

N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide (PubChem CID 129191428) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
PubChem CID129191428
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide
SMILESCN(C(=O)c1ccc(-c2ccc3[nH]ncc3c2)cc1)C1CCCC1
InChIInChI=1S/C20H21N3O/c1-23(18-4-2-3-5-18)20(24)15-8-6-14(7-9-15)16-10-11-19-17(12-16)13-21-22-19/h6-13,18H,2-5H2,1H3,(H,21,22)
InChIKeyFWLGBRKFYZPLTE-UHFFFAOYSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide?
The IUPAC name of N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide (CID 129191428) is N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide.
What is the SMILES notation for N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide?
The canonical SMILES for N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide is CN(C(=O)c1ccc(-c2ccc3[nH]ncc3c2)cc1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide?
The InChIKey is FWLGBRKFYZPLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-23(18-4-2-3-5-18)20(24)15-8-6-14(7-9-15)16-10-11-19-17(12-16)13-21-22-19/h6-13,18H,2-5H2,1H3,(H,21,22).
What are the key properties of N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide?
N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide has a molecular weight of 319.41 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(1H-indazol-5-yl)-N-methylbenzamide is sourced from PubChem (CID 129191428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).