(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone

C12H19N5O — CID 145315606

IUPAC(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccn(C(=O)N2CCC3(CCCN3)CC2)n1
InChIInChI=1S/C12H19N5O/c13-10-2-7-17(15-10)11(18)16-8-4-12(5-9-16)3-1-6-14-12/h2,7,14H,1,3-6,8-9H2,(H2,13,15)
InChIKeyIKSKLZQWIMIGPY-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.65
Rot. Bonds

About (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone

(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 145315606) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Name(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID145315606
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESNc1ccn(C(=O)N2CCC3(CCCN3)CC2)n1
InChIInChI=1S/C12H19N5O/c13-10-2-7-17(15-10)11(18)16-8-4-12(5-9-16)3-1-6-14-12/h2,7,14H,1,3-6,8-9H2,(H2,13,15)
InChIKeyIKSKLZQWIMIGPY-UHFFFAOYSA-N
XLogP0.65
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 145315606) is (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone is Nc1ccn(C(=O)N2CCC3(CCCN3)CC2)n1.
What is the InChIKey of (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is IKSKLZQWIMIGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c13-10-2-7-17(15-10)11(18)16-8-4-12(5-9-16)3-1-6-14-12/h2,7,14H,1,3-6,8-9H2,(H2,13,15).
What are the key properties of (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone?
(3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 249.32 g/mol, XLogP of 0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrazol-1-yl)-(1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 145315606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).