N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

C19H29N3O — CID 75472060

IUPACN-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cn(C2CCCC2)nc1CNC1C2CCOC2C12CCCC2
InChIInChI=1S/C19H29N3O/c1-2-6-15(5-1)22-11-7-14(21-22)13-20-17-16-8-12-23-18(16)19(17)9-3-4-10-19/h7,11,15-18,20H,1-6,8-10,12-13H2
InChIKeyWOITVOIRMASVPJ-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.44
Rot. Bonds4

About N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine

N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (PubChem CID 75472060) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.

Molecular Properties

Compound NameN-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
PubChem CID75472060
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC NameN-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine
SMILESc1cn(C2CCCC2)nc1CNC1C2CCOC2C12CCCC2
InChIInChI=1S/C19H29N3O/c1-2-6-15(5-1)22-11-7-14(21-22)13-20-17-16-8-12-23-18(16)19(17)9-3-4-10-19/h7,11,15-18,20H,1-6,8-10,12-13H2
InChIKeyWOITVOIRMASVPJ-UHFFFAOYSA-N
XLogP3.44
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The IUPAC name of N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine (CID 75472060) is N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine.
What is the SMILES notation for N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The canonical SMILES for N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is c1cn(C2CCCC2)nc1CNC1C2CCOC2C12CCCC2.
What is the InChIKey of N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
The InChIKey is WOITVOIRMASVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-2-6-15(5-1)22-11-7-14(21-22)13-20-17-16-8-12-23-18(16)19(17)9-3-4-10-19/h7,11,15-18,20H,1-6,8-10,12-13H2.
What are the key properties of N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine?
N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine has a molecular weight of 315.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentylpyrazol-3-yl)methyl]spiro[2-oxabicyclo[3.2.0]heptane-7,1'-cyclopentane]-6-amine is sourced from PubChem (CID 75472060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).