(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

C20H24N4O4 — CID 95708391

IUPAC(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccccc1-n1cc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C20H24N4O4/c1-28-17-5-3-2-4-15(17)24-12-14(11-22-24)18(25)23-13-20(6-8-21-9-7-20)10-16(23)19(26)27/h2-5,11-12,16,21H,6-10,13H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeyJSWACTSKMBMILV-MRXNPFEDSA-N
MW384.44 g/mol
LogP1.55
Rot. Bonds4

About (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid

(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (PubChem CID 95708391) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
PubChem CID95708391
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
SMILESCOc1ccccc1-n1cc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)cn1
InChIInChI=1S/C20H24N4O4/c1-28-17-5-3-2-4-15(17)24-12-14(11-22-24)18(25)23-13-20(6-8-21-9-7-20)10-16(23)19(26)27/h2-5,11-12,16,21H,6-10,13H2,1H3,(H,26,27)/t16-/m1/s1
InChIKeyJSWACTSKMBMILV-MRXNPFEDSA-N
XLogP1.55
TPSA96.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-3-hydroxy-3,4,4-trimethylpyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97144723
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
(2S,4R)-4-amino-1-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-N-methylpyrrolidine-2-carboxamide
CID 56710407
(3R)-2-(3-methylimidazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95720364
2-(3-methylimidazole-4-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56906188
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[(3S)-3-hydroxy-3-(2-methylphenyl)pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97114823
[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70765301
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 155904367
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 97148857
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid (CID 95708391) is (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is COc1ccccc1-n1cc(C(=O)N2CC3(CCNCC3)C[C@@H]2C(=O)O)cn1.
What is the InChIKey of (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is JSWACTSKMBMILV-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-28-17-5-3-2-4-15(17)24-12-14(11-22-24)18(25)23-13-20(6-8-21-9-7-20)10-16(23)19(26)27/h2-5,11-12,16,21H,6-10,13H2,1H3,(H,26,27)/t16-/m1/s1.
What are the key properties of (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid?
(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 384.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 95708391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).