(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

C14H23N5O — CID 110485292

IUPAC(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC3(CCCNC3)C2)c1N
InChIInChI=1S/C14H23N5O/c1-18-12(15)11(8-17-18)13(20)19-7-3-5-14(10-19)4-2-6-16-9-14/h8,16H,2-7,9-10,15H2,1H3
InChIKeyIXHZCIVTTRVVJJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.61
Rot. Bonds1

About (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone

(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (PubChem CID 110485292) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.

Molecular Properties

Compound Name(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
PubChem CID110485292
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
SMILESCn1ncc(C(=O)N2CCCC3(CCCNC3)C2)c1N
InChIInChI=1S/C14H23N5O/c1-18-12(15)11(8-17-18)13(20)19-7-3-5-14(10-19)4-2-6-16-9-14/h8,16H,2-7,9-10,15H2,1H3
InChIKeyIXHZCIVTTRVVJJ-UHFFFAOYSA-N
XLogP0.61
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-diazaspiro[5.5]undecan-2-yl-(5-methyl-1,2-oxazol-4-yl)methanone
CID 102849787
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
2,8-diazaspiro[5.5]undecan-2-yl-(2-hydroxy-4-methylphenyl)methanone
CID 102849920
2,8-diazaspiro[5.5]undecan-2-yl-(3,6-dimethylpyridazin-4-yl)methanone
CID 102849821
3-(2,8-diazaspiro[5.5]undecane-2-carbonyl)-1H-pyridin-2-one
CID 102849780
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid
CID 102850255
2,8-diazaspiro[5.5]undecan-2-yl(1,3-thiazol-5-yl)methanone
CID 114031315
(5-amino-1-methylpyrazol-4-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 113288623
2,8-diazaspiro[5.5]undecan-2-yl-(3,5-dimethylphenyl)methanone
CID 102849786
(2-bromo-4-methylphenyl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone
CID 102849898
[(5S)-2,9-diazaspiro[4.5]decan-2-yl]-(2,4,5-trimethylphenyl)methanone
CID 95217985
2,9-diazaspiro[4.5]decan-2-yl-(2,4,5-trimethylphenyl)methanone
CID 56754594

Frequently Asked Questions

What is the IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The IUPAC name of (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone (CID 110485292) is (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone.
What is the SMILES notation for (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The canonical SMILES for (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is Cn1ncc(C(=O)N2CCCC3(CCCNC3)C2)c1N.
What is the InChIKey of (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
The InChIKey is IXHZCIVTTRVVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-18-12(15)11(8-17-18)13(20)19-7-3-5-14(10-19)4-2-6-16-9-14/h8,16H,2-7,9-10,15H2,1H3.
What are the key properties of (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone?
(5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone has a molecular weight of 277.37 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1-methylpyrazol-4-yl)-(2,8-diazaspiro[5.5]undecan-2-yl)methanone is sourced from PubChem (CID 110485292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).