2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

C14H20N4O2 — CID 77092196

IUPAC2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)c1cn[nH]c1)CC2
InChIInChI=1S/C14H20N4O2/c1-17-10-14(3-2-12(17)19)4-6-18(7-5-14)13(20)11-8-15-16-9-11/h8-9H,2-7,10H2,1H3,(H,15,16)
InChIKeyFHMQQIWWCCDMOV-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.88
Rot. Bonds1

About 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one

2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 77092196) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID77092196
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCN1CC2(CCC1=O)CCN(C(=O)c1cn[nH]c1)CC2
InChIInChI=1S/C14H20N4O2/c1-17-10-14(3-2-12(17)19)4-6-18(7-5-14)13(20)11-8-15-16-9-11/h8-9H,2-7,10H2,1H3,(H,15,16)
InChIKeyFHMQQIWWCCDMOV-UHFFFAOYSA-N
XLogP0.88
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-9-(1H-pyrazole-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 77089326
1,4-dioxa-8-azaspiro[4.5]decan-8-yl(1H-pyrazol-4-yl)methanone
CID 110853513
[9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]-pyridin-4-ylmethanone
CID 167940871
9-(2,6-difluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72935399
azetidin-1-yl(1H-pyrazol-4-yl)methanone
CID 130157927
9-(3-hydroxy-2-methylbenzoyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72865625
7-(1H-pyrazole-4-carbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996239
9-(2-amino-5,6,7,8-tetrahydroquinazoline-4-carbonyl)-2-methyl-2,9-diazaspiro[5.5]undecan-3-one
CID 72855403
(4-propylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 43582709
1-(1H-pyrazole-4-carbonyl)-1,4-diazepan-5-one
CID 62045064
2-methyl-9-[3-(5-methylfuran-2-yl)benzoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72861143
(4-bromo-3,3-dimethylpyrrolidin-1-yl)-(1H-pyrazol-4-yl)methanone
CID 130934480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 77092196) is 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is CN1CC2(CCC1=O)CCN(C(=O)c1cn[nH]c1)CC2.
What is the InChIKey of 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FHMQQIWWCCDMOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-17-10-14(3-2-12(17)19)4-6-18(7-5-14)13(20)11-8-15-16-9-11/h8-9H,2-7,10H2,1H3,(H,15,16).
What are the key properties of 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one?
2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 276.34 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-9-(1H-pyrazole-4-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 77092196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).