(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone

C14H25N9O — CID 133265772

IUPAC(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
SMILESCC(C)C1NNC2CCN(C(=O)C3CNNC3n3cnnn3)CC21
InChIInChI=1S/C14H25N9O/c1-8(2)12-10-6-22(4-3-11(10)17-18-12)14(24)9-5-15-19-13(9)23-7-16-20-21-23/h7-13,15,17-19H,3-6H2,1-2H3
InChIKeyIJDUHKCXMXYTDM-UHFFFAOYSA-N
MW335.42 g/mol
LogP-1.75
Rot. Bonds3

About (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone

(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone (PubChem CID 133265772) has the molecular formula C14H25N9O and a molecular weight of 335.42 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
PubChem CID133265772
Molecular FormulaC14H25N9O
Molecular Weight335.42 g/mol
Exact Mass335.22
IUPAC Name(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone
SMILESCC(C)C1NNC2CCN(C(=O)C3CNNC3n3cnnn3)CC21
InChIInChI=1S/C14H25N9O/c1-8(2)12-10-6-22(4-3-11(10)17-18-12)14(24)9-5-15-19-13(9)23-7-16-20-21-23/h7-13,15,17-19H,3-6H2,1-2H3
InChIKeyIJDUHKCXMXYTDM-UHFFFAOYSA-N
XLogP-1.75
TPSA112.03 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The IUPAC name of (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone (CID 133265772) is (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone.
What is the SMILES notation for (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The canonical SMILES for (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone is CC(C)C1NNC2CCN(C(=O)C3CNNC3n3cnnn3)CC21.
What is the InChIKey of (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
The InChIKey is IJDUHKCXMXYTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N9O/c1-8(2)12-10-6-22(4-3-11(10)17-18-12)14(24)9-5-15-19-13(9)23-7-16-20-21-23/h7-13,15,17-19H,3-6H2,1-2H3.
What are the key properties of (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone?
(3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone has a molecular weight of 335.42 g/mol, XLogP of -1.75, 3 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-5-yl)-[3-(tetrazol-1-yl)pyrazolidin-4-yl]methanone is sourced from PubChem (CID 133265772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).