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

C17H26N4O3 — CID 70725662

IUPAC8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-7-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-8-19(2)18-13/h4,8,14H,3,5-7,9-12H2,1-2H3,(H,23,24)
InChIKeyURUHVTKBRSGJID-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds4

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

8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 70725662) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID70725662
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-7-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-8-19(2)18-13/h4,8,14H,3,5-7,9-12H2,1-2H3,(H,23,24)
InChIKeyURUHVTKBRSGJID-UHFFFAOYSA-N
XLogP1.21
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-(2-methylpyrimidine-5-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56903968
(3S)-8-(5-propan-2-yl-1,2-oxazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868038
(3R)-2-propyl-8-(1H-pyrazole-5-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95897333
(3S)-8-(3-hydroxypyridine-2-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95880584
(3S)-2-propyl-8-(5-propyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95893616
(3S)-8-(3-hydroxybenzoyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95861164
(3S)-8-(2,5-dimethylfuran-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95874960
2-[(3S)-3-carboxy-2-propyl-2,8-diazaspiro[4.5]decan-8-yl]-1,3-oxazole-4-carboxylic acid
CID 95894173
8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70711706
(3S)-8-[2-(4-hydroxyphenyl)acetyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95869094
[3-(cyclopropylmethoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decan-8-yl]-(1-methylpyrazol-3-yl)methanone
CID 133142265
(3S)-2-propyl-8-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95868514

Frequently Asked Questions

What is the IUPAC name of 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 70725662) is 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3ccn(C)n3)CC2)CC1C(=O)O.
What is the InChIKey of 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is URUHVTKBRSGJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-7-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-8-19(2)18-13/h4,8,14H,3,5-7,9-12H2,1-2H3,(H,23,24).
What are the key properties of 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 70725662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).