8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H17ClN4O4 — CID 72867678

IUPAC8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23)
InChIKeyGUQACIFEZXFRCR-UHFFFAOYSA-N
MW340.77 g/mol
LogP0.27
Rot. Bonds2

About 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72867678) has the molecular formula C14H17ClN4O4 and a molecular weight of 340.77 g/mol. Its IUPAC name is 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72867678
Molecular FormulaC14H17ClN4O4
Molecular Weight340.77 g/mol
Exact Mass340.09
IUPAC Name8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n1
InChIInChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23)
InChIKeyGUQACIFEZXFRCR-UHFFFAOYSA-N
XLogP0.27
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72867678) is 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cn1cc(Cl)c(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n1.
What is the InChIKey of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is GUQACIFEZXFRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O4/c1-18-7-9(15)11(17-18)12(21)19-4-2-14(3-5-19)8(13(22)23)6-10(20)16-14/h7-8H,2-6H2,1H3,(H,16,20)(H,22,23).
What are the key properties of 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 340.77 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72867678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).