N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide

C17H27N3O — CID 71808383

IUPACN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C17H27N3O/c1-2-7-17(21)18-12-15-14-10-5-6-11-16(14)20(19-15)13-8-3-4-9-13/h13H,2-12H2,1H3,(H,18,21)
InChIKeyHADBFNFZJWXTBR-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.29
Rot. Bonds5

About N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide

N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide (PubChem CID 71808383) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide
PubChem CID71808383
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC NameN-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C17H27N3O/c1-2-7-17(21)18-12-15-14-10-5-6-11-16(14)20(19-15)13-8-3-4-9-13/h13H,2-12H2,1H3,(H,18,21)
InChIKeyHADBFNFZJWXTBR-UHFFFAOYSA-N
XLogP3.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide?
The IUPAC name of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide (CID 71808383) is N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide?
The canonical SMILES for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide is CCCC(=O)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide?
The InChIKey is HADBFNFZJWXTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-2-7-17(21)18-12-15-14-10-5-6-11-16(14)20(19-15)13-8-3-4-9-13/h13H,2-12H2,1H3,(H,18,21).
What are the key properties of N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide?
N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide has a molecular weight of 289.42 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]butanamide is sourced from PubChem (CID 71808383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).