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

C17H26N4O3 — CID 56900115

IUPAC8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ccnn3C)CC2)CC1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-8-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-7-18-19(13)2/h4,7,14H,3,5-6,8-12H2,1-2H3,(H,23,24)
InChIKeyHDSUSQPKPPVWDL-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.21
Rot. Bonds4

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

8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 56900115) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID56900115
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCCCN1CC2(CCN(C(=O)c3ccnn3C)CC2)CC1C(=O)O
InChIInChI=1S/C17H26N4O3/c1-3-8-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-7-18-19(13)2/h4,7,14H,3,5-6,8-12H2,1-2H3,(H,23,24)
InChIKeyHDSUSQPKPPVWDL-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

2-[2-(dimethylamino)ethyl]-9-[(1-methyl-1H-pyrazol-3-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72850435
2-Cyclopentyl-9-(1-methylpyrazole-3-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72907096
[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-methylpyrazol-3-yl)methanone
CID 124074610
{9-[(dimethylamino)methyl]-9-hydroxy-3-azaspiro[5.5]undec-3-yl}(1-ethyl-1H-pyrazol-5-yl)methanone
CID 91920161
8-(cyclopropylcarbonyl)-2-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56894416
2-(2-hydroxypropyl)-9-[(1-methyl-1H-pyrazol-5-yl)carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72851888
[(3R*,5R*)-1-[(1-ethyl-1H-pyrazol-3-yl)carbonyl]-5-(1-pyrrolidinylmethyl)-3-piperidinyl]methanol
CID 72930437
[4-[(Dimethylamino)methyl]-8-oxa-2-azaspiro[4.5]decan-2-yl]-(2-ethylpyrazol-3-yl)methanone
CID 87053394
1-[8-[(1-ethyl-1H-pyrazol-5-yl)carbonyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]dec-2-yl]-1-ethanone
CID 91910543
2-Methyl-8-(1-methyl-1H-pyrazole-5-carbonyl)-3-(morpholine-4-carbonyl)-2,8-diazaspiro[4.5]decane
CID 91911305
[2-Cyclobutyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(1-ethylpyrazol-3-yl)methanone
CID 124074603
[2-Cyclobutyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]-(2-ethylpyrazol-3-yl)methanone
CID 124074611

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 56900115) is 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is CCCN1CC2(CCN(C(=O)c3ccnn3C)CC2)CC1C(=O)O.
What is the InChIKey of 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is HDSUSQPKPPVWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-3-8-21-12-17(11-14(21)16(23)24)5-9-20(10-6-17)15(22)13-4-7-18-19(13)2/h4,7,14H,3,5-6,8-12H2,1-2H3,(H,23,24).
What are the key properties of 8-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
8-(2-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-(2-methylpyrazole-3-carbonyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 56900115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).