7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

C15H22N4O — CID 118743412

IUPAC7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(CC4CC4)C3)CC2=O)cn1
InChIInChI=1S/C15H22N4O/c1-17-9-13(7-16-17)19-11-15(6-14(19)20)4-5-18(10-15)8-12-2-3-12/h7,9,12H,2-6,8,10-11H2,1H3
InChIKeyWEOYGRXWWHIMBE-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.26
Rot. Bonds3

About 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one

7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 118743412) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID118743412
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1cc(N2CC3(CCN(CC4CC4)C3)CC2=O)cn1
InChIInChI=1S/C15H22N4O/c1-17-9-13(7-16-17)19-11-15(6-14(19)20)4-5-18(10-15)8-12-2-3-12/h7,9,12H,2-6,8,10-11H2,1H3
InChIKeyWEOYGRXWWHIMBE-UHFFFAOYSA-N
XLogP1.26
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-Propan-2-ylpyrazol-4-yl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 71830382
4-(4-Methylpiperidine-1-carbonyl)-1-(1-propan-2-ylpyrazol-4-yl)pyrrolidin-2-one
CID 71830384
7-Ethylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739399
2-(1-Methylpyrazol-4-yl)-7-methylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739400
2-(1-Methylpyrazol-4-yl)-7-propylsulfonyl-2,7-diazaspiro[4.4]nonan-3-one
CID 118739402
7-(2-Methoxyacetyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118739521
7-Cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 118739730
7-Cyclopropylsulfonyl-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 118739733
2-(1-Methylpyrazol-4-yl)-7-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 118745132
(3aS*,6aS*)-1-methyl-5-[4-(1H-pyrazol-1-yl)butanoyl]octahydropyrrolo[3,4-b]pyrrole
CID 91841444
7-(Cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118743411
7-(2-Hydroxyethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131641152

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one (CID 118743412) is 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is Cn1cc(N2CC3(CCN(CC4CC4)C3)CC2=O)cn1.
What is the InChIKey of 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is WEOYGRXWWHIMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-17-9-13(7-16-17)19-11-15(6-14(19)20)4-5-18(10-15)8-12-2-3-12/h7,9,12H,2-6,8,10-11H2,1H3.
What are the key properties of 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one?
7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 274.37 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-2-(1-methylpyrazol-4-yl)-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 118743412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).