5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid

C15H24N4O2 — CID 102850255

IUPAC5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H24N4O2/c1-18-13(12(8-17-18)14(20)21)9-19-7-3-5-15(11-19)4-2-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,20,21)
InChIKeyPBCMDQFWMUFQBY-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.08
Rot. Bonds3

About 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid

5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid (PubChem CID 102850255) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid
PubChem CID102850255
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1CN1CCCC2(CCCNC2)C1
InChIInChI=1S/C15H24N4O2/c1-18-13(12(8-17-18)14(20)21)9-19-7-3-5-15(11-19)4-2-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,20,21)
InChIKeyPBCMDQFWMUFQBY-UHFFFAOYSA-N
XLogP1.08
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid?
The IUPAC name of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid (CID 102850255) is 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid.
What is the SMILES notation for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid?
The canonical SMILES for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1CN1CCCC2(CCCNC2)C1.
What is the InChIKey of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid?
The InChIKey is PBCMDQFWMUFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18-13(12(8-17-18)14(20)21)9-19-7-3-5-15(11-19)4-2-6-16-10-15/h8,16H,2-7,9-11H2,1H3,(H,20,21).
What are the key properties of 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid?
5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,8-diazaspiro[5.5]undecan-2-ylmethyl)-1-methylpyrazole-4-carboxylic acid is sourced from PubChem (CID 102850255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).