1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid

C20H22N4O3 — CID 46507058

IUPAC1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(-c2cc3c(N4CCC(C(=O)O)CC4)nccn3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-27-16-5-3-14(4-6-16)17-13-18-19(21-9-12-24(18)22-17)23-10-7-15(8-11-23)20(25)26/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,25,26)
InChIKeyKADCXHWMXRKJPZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.10
Rot. Bonds5

About 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid

1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid (PubChem CID 46507058) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
PubChem CID46507058
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid
SMILESCCOc1ccc(-c2cc3c(N4CCC(C(=O)O)CC4)nccn3n2)cc1
InChIInChI=1S/C20H22N4O3/c1-2-27-16-5-3-14(4-6-16)17-13-18-19(21-9-12-24(18)22-17)23-10-7-15(8-11-23)20(25)26/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,25,26)
InChIKeyKADCXHWMXRKJPZ-UHFFFAOYSA-N
XLogP3.10
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-methylpiperidine-4-carboxamide
CID 46346478
1-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 20962102
ethyl 1-[2-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 53334369
ethyl (3S)-1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-3-carboxylate
CID 95183719
ethyl 1-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxylate
CID 104733371
2-(4-butoxyphenyl)-4-[4-(3-chlorophenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 45499247
[4-[2-(4-butoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 50796471
N-[(3,4-dimethylphenyl)methyl]-1-[2-(3,4-dimethylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxamide
CID 50797333
1-[2-(4-fluorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 50797159
N-[1-(4-fluorophenyl)ethyl]-1-(2-phenylpyrazolo[1,5-a]pyrazin-4-yl)piperidine-4-carboxamide
CID 50797136
2-(4-chlorophenyl)-4-[4-(2-ethoxyphenyl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 50796496
1-[2-(3-methylphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-ol
CID 56771070

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid (CID 46507058) is 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid is CCOc1ccc(-c2cc3c(N4CCC(C(=O)O)CC4)nccn3n2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid?
The InChIKey is KADCXHWMXRKJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-2-27-16-5-3-14(4-6-16)17-13-18-19(21-9-12-24(18)22-17)23-10-7-15(8-11-23)20(25)26/h3-6,9,12-13,15H,2,7-8,10-11H2,1H3,(H,25,26).
What are the key properties of 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid?
1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid has a molecular weight of 366.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyphenyl)pyrazolo[1,5-a]pyrazin-4-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 46507058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).