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

C15H23N3O2 — CID 71808381

IUPACmethyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C15H23N3O2/c1-20-15(19)16-10-13-12-8-4-5-9-14(12)18(17-13)11-6-2-3-7-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyBSWJLKNGGSBRSL-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.73
Rot. Bonds3

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

methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate (PubChem CID 71808381) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate.

Molecular Properties

Compound Namemethyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate
PubChem CID71808381
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Namemethyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate
SMILESCOC(=O)NCc1nn(C2CCCC2)c2c1CCCC2
InChIInChI=1S/C15H23N3O2/c1-20-15(19)16-10-13-12-8-4-5-9-14(12)18(17-13)11-6-2-3-7-11/h11H,2-10H2,1H3,(H,16,19)
InChIKeyBSWJLKNGGSBRSL-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate?
The IUPAC name of methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate (CID 71808381) is methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate.
What is the SMILES notation for methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate?
The canonical SMILES for methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate is COC(=O)NCc1nn(C2CCCC2)c2c1CCCC2.
What is the InChIKey of methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate?
The InChIKey is BSWJLKNGGSBRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-15(19)16-10-13-12-8-4-5-9-14(12)18(17-13)11-6-2-3-7-11/h11H,2-10H2,1H3,(H,16,19).
What are the key properties of methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate?
methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate has a molecular weight of 277.37 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(1-cyclopentyl-4,5,6,7-tetrahydroindazol-3-yl)methyl]carbamate is sourced from PubChem (CID 71808381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).