N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide

C16H25N3O2 — CID 97347028

IUPACN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21
InChIInChI=1S/C16H25N3O2/c1-2-21-11-15(20)17-14-9-5-6-12-10-19(18-16(12)14)13-7-3-4-8-13/h10,13-14H,2-9,11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCTZFBVTWOULSCR-AWEZNQCLSA-N
MW291.40 g/mol
LogP2.53
Rot. Bonds5

About N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide

N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide (PubChem CID 97347028) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
PubChem CID97347028
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
SMILESCCOCC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21
InChIInChI=1S/C16H25N3O2/c1-2-21-11-15(20)17-14-9-5-6-12-10-19(18-16(12)14)13-7-3-4-8-13/h10,13-14H,2-9,11H2,1H3,(H,17,20)/t14-/m0/s1
InChIKeyCTZFBVTWOULSCR-AWEZNQCLSA-N
XLogP2.53
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide?
The IUPAC name of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide (CID 97347028) is N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide?
The canonical SMILES for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide is CCOCC(=O)N[C@H]1CCCc2cn(C3CCCC3)nc21.
What is the InChIKey of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide?
The InChIKey is CTZFBVTWOULSCR-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-2-21-11-15(20)17-14-9-5-6-12-10-19(18-16(12)14)13-7-3-4-8-13/h10,13-14H,2-9,11H2,1H3,(H,17,20)/t14-/m0/s1.
What are the key properties of N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide?
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide has a molecular weight of 291.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide is sourced from PubChem (CID 97347028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).