(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone

C14H22N4O — CID 128500529

IUPAC(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC3(CCN(C)C3)C2)c1C
InChIInChI=1S/C14H22N4O/c1-10-11(2)15-16-12(10)13(19)18-7-5-14(9-18)4-6-17(3)8-14/h4-9H2,1-3H3,(H,15,16)
InChIKeyGFTUPXXRHWHNMO-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.19
Rot. Bonds1

About (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone

(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone (PubChem CID 128500529) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
PubChem CID128500529
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
SMILESCc1[nH]nc(C(=O)N2CCC3(CCN(C)C3)C2)c1C
InChIInChI=1S/C14H22N4O/c1-10-11(2)15-16-12(10)13(19)18-7-5-14(9-18)4-6-17(3)8-14/h4-9H2,1-3H3,(H,15,16)
InChIKeyGFTUPXXRHWHNMO-UHFFFAOYSA-N
XLogP1.19
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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone with MolForge

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Related Compounds

[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
(4,5-dimethyl-1H-pyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 110854966
2,2-dimethyl-1-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)propan-1-one
CID 126750297
3-[7-(cyclopropanecarbonyl)-2,7-diazaspiro[3.4]octane-2-carbonyl]-6-methyl-1H-pyridazin-4-one
CID 167826254
(3-hydroxy-2-pyridinyl)-(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)methanone
CID 56756209
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 154820175
(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)-(2,4,6-trimethylphenyl)methanone
CID 50949896
tert-butyl 7-methyl-2,7-diazaspiro[4.4]nonane-2-carboxylate
CID 118994126
2,7-dimethyl-2,7-diazaspiro[4.4]nonane;ethane
CID 144510455
(3-methoxyphenyl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 134078666
(4-methoxy-2-methylphenyl)-[(5S)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 95218279

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The IUPAC name of (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone (CID 128500529) is (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone.
What is the SMILES notation for (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The canonical SMILES for (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone is Cc1[nH]nc(C(=O)N2CCC3(CCN(C)C3)C2)c1C.
What is the InChIKey of (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
The InChIKey is GFTUPXXRHWHNMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-10-11(2)15-16-12(10)13(19)18-7-5-14(9-18)4-6-17(3)8-14/h4-9H2,1-3H3,(H,15,16).
What are the key properties of (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone?
(4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone has a molecular weight of 262.36 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethyl-1H-pyrazol-3-yl)-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone is sourced from PubChem (CID 128500529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).