(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C13H18N4O — CID 154820175

IUPAC(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCN1CC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2
InChIInChI=1S/C13H18N4O/c1-16-5-13(6-16)7-17(8-13)12(18)11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15)
InChIKeyNLULMZZUSUKORY-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.29
Rot. Bonds1

About (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 154820175) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID154820175
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCN1CC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2
InChIInChI=1S/C13H18N4O/c1-16-5-13(6-16)7-17(8-13)12(18)11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15)
InChIKeyNLULMZZUSUKORY-UHFFFAOYSA-N
XLogP0.29
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methylpiperazin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 53017418
1-[4-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carbonyl)piperazin-1-yl]ethanone
CID 75489364
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 120807481
(3S)-2-propyl-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95888767
ethyl 4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-1-carboxylate
CID 110388853
1-methyl-4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperazine-2-carboxylic acid
CID 56721335
2-(3-methylbutyl)-8-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712494
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 45209392
(3S)-2-propyl-8-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868514
(4-pyrimidin-2-ylpiperazin-1-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 110388861
(3-aminopyrrolidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 112708550
(2,6-dimethylpiperidin-1-yl)-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 110674214

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 154820175) is (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is CN1CC2(C1)CN(C(=O)c1n[nH]c3c1CCC3)C2.
What is the InChIKey of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is NLULMZZUSUKORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-16-5-13(6-16)7-17(8-13)12(18)11-9-3-2-4-10(9)14-15-11/h2-8H2,1H3,(H,14,15).
What are the key properties of (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 246.31 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 154820175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).