N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide

C17H21N3O2 — CID 22510145

IUPACN-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-7-15-13(10-12)11-18-20(15)17(22)9-8-16(21)19-14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyZIDQWIHQZIWVNB-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.82
Rot. Bonds4

About N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide

N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide (PubChem CID 22510145) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
PubChem CID22510145
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC NameN-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
SMILESCc1ccc2c(cnn2C(=O)CCC(=O)NC2CCCC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-6-7-15-13(10-12)11-18-20(15)17(22)9-8-16(21)19-14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,21)
InChIKeyZIDQWIHQZIWVNB-UHFFFAOYSA-N
XLogP2.82
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The IUPAC name of N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide (CID 22510145) is N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide.
What is the SMILES notation for N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The canonical SMILES for N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide is Cc1ccc2c(cnn2C(=O)CCC(=O)NC2CCCC2)c1.
What is the InChIKey of N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide?
The InChIKey is ZIDQWIHQZIWVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-6-7-15-13(10-12)11-18-20(15)17(22)9-8-16(21)19-14-4-2-3-5-14/h6-7,10-11,14H,2-5,8-9H2,1H3,(H,19,21).
What are the key properties of N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide?
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide has a molecular weight of 299.37 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide is sourced from PubChem (CID 22510145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).