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

C16H25N3O2 — CID 75484173

IUPACN-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCCc2cn(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)
InChIKeyCTZFBVTWOULSCR-UHFFFAOYSA-N
MW291.40 g/mol
LogP2.53
Rot. Bonds5

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

N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide (PubChem CID 75484173) has the molecular formula C16H25N3O2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide.

Molecular Properties

Compound NameN-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide
PubChem CID75484173
Molecular FormulaC16H25N3O2
Molecular Weight291.40 g/mol
Exact Mass291.19
IUPAC NameN-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide
SMILESCCOCC(=O)NC1CCCc2cn(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)
InChIKeyCTZFBVTWOULSCR-UHFFFAOYSA-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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Related Compounds

N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-2-ethoxyacetamide
CID 97347028
2-ethoxy-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 75484165
N-[(7S)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]-3,3,3-trifluoropropanamide
CID 97347048
N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-1H-pyrazole-5-carboxamide
CID 75484174
1-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
CID 75475619
N-[(7R)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]cyclopropanesulfonamide
CID 97346823
4-[[[(7R)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl]amino]methyl]-N-methylbenzamide
CID 97346793
5-[[(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]-2-methoxyphenol
CID 75475581
(7R)-2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-amine
CID 97297718
N-[(7R)-2-(2-amino-2-oxoethyl)-4,5,6,7-tetrahydroindazol-7-yl]-2-cyclohexylacetamide
CID 97346909
ethyl 2-[(7S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetate
CID 97299942
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139008177

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide?
The IUPAC name of N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide (CID 75484173) is N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide.
What is the SMILES notation for N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide?
The canonical SMILES for N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide is CCOCC(=O)NC1CCCc2cn(C3CCCC3)nc21.
What is the InChIKey of N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide?
The InChIKey is CTZFBVTWOULSCR-UHFFFAOYSA-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).
What are the key properties of N-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide?
N-(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-(2-cyclopentyl-4,5,6,7-tetrahydroindazol-7-yl)-2-ethoxyacetamide is sourced from PubChem (CID 75484173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).