(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

C14H22N4O — CID 56759251

IUPAC(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCN(C)C3)C2)n[nH]1
InChIInChI=1S/C14H22N4O/c1-11-8-12(16-15-11)13(19)18-6-3-4-14(10-18)5-7-17(2)9-14/h8H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyLFCFVGZVEXKVNF-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.28
Rot. Bonds1

About (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone

(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (PubChem CID 56759251) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
PubChem CID56759251
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCCC3(CCN(C)C3)C2)n[nH]1
InChIInChI=1S/C14H22N4O/c1-11-8-12(16-15-11)13(19)18-6-3-4-14(10-18)5-7-17(2)9-14/h8H,3-7,9-10H2,1-2H3,(H,15,16)
InChIKeyLFCFVGZVEXKVNF-UHFFFAOYSA-N
XLogP1.28
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone (CID 56759251) is (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCCC3(CCN(C)C3)C2)n[nH]1.
What is the InChIKey of (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
The InChIKey is LFCFVGZVEXKVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-11-8-12(16-15-11)13(19)18-6-3-4-14(10-18)5-7-17(2)9-14/h8H,3-7,9-10H2,1-2H3,(H,15,16).
What are the key properties of (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone?
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56759251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).