N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine

C22H23N7 — CID 171844211

IUPACN-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
SMILESc1ccc(-n2cccn2)c(CNc2c3c(nc4ccnn24)C2(CCCC2)NC3)c1
InChIInChI=1S/C22H23N7/c1-2-7-18(28-13-5-11-25-28)16(6-1)14-23-21-17-15-24-22(9-3-4-10-22)20(17)27-19-8-12-26-29(19)21/h1-2,5-8,11-13,23-24H,3-4,9-10,14-15H2
InChIKeyYURKCQSJUABAGP-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.40
Rot. Bonds4

About N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine

N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine (PubChem CID 171844211) has the molecular formula C22H23N7 and a molecular weight of 385.48 g/mol. Its IUPAC name is N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine.

Molecular Properties

Compound NameN-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
PubChem CID171844211
Molecular FormulaC22H23N7
Molecular Weight385.48 g/mol
Exact Mass385.20
IUPAC NameN-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine
SMILESc1ccc(-n2cccn2)c(CNc2c3c(nc4ccnn24)C2(CCCC2)NC3)c1
InChIInChI=1S/C22H23N7/c1-2-7-18(28-13-5-11-25-28)16(6-1)14-23-21-17-15-24-22(9-3-4-10-22)20(17)27-19-8-12-26-29(19)21/h1-2,5-8,11-13,23-24H,3-4,9-10,14-15H2
InChIKeyYURKCQSJUABAGP-UHFFFAOYSA-N
XLogP3.40
TPSA72.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The IUPAC name of N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine (CID 171844211) is N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine.
What is the SMILES notation for N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The canonical SMILES for N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine is c1ccc(-n2cccn2)c(CNc2c3c(nc4ccnn24)C2(CCCC2)NC3)c1.
What is the InChIKey of N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
The InChIKey is YURKCQSJUABAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7/c1-2-7-18(28-13-5-11-25-28)16(6-1)14-23-21-17-15-24-22(9-3-4-10-22)20(17)27-19-8-12-26-29(19)21/h1-2,5-8,11-13,23-24H,3-4,9-10,14-15H2.
What are the key properties of N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine?
N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine has a molecular weight of 385.48 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrazol-1-ylphenyl)methyl]spiro[1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-6,1'-cyclopentane]-2-amine is sourced from PubChem (CID 171844211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).