2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid

C13H16N4O2 — CID 104729407

IUPAC2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1c1nccn2nccc12
InChIInChI=1S/C13H16N4O2/c18-12(19)9-10-3-1-2-7-16(10)13-11-4-5-15-17(11)8-6-14-13/h4-6,8,10H,1-3,7,9H2,(H,18,19)
InChIKeyZMDMHDFXDXRSQS-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.56
Rot. Bonds3

About 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid

2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid (PubChem CID 104729407) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
PubChem CID104729407
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid
SMILESO=C(O)CC1CCCCN1c1nccn2nccc12
InChIInChI=1S/C13H16N4O2/c18-12(19)9-10-3-1-2-7-16(10)13-11-4-5-15-17(11)8-6-14-13/h4-6,8,10H,1-3,7,9H2,(H,18,19)
InChIKeyZMDMHDFXDXRSQS-UHFFFAOYSA-N
XLogP1.56
TPSA70.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-2-carbaldehyde
CID 104733726
2-methyl-N-[(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methyl]propan-2-amine
CID 104733642
4-[2-(3-bromopropyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrazine
CID 113446660
methyl 1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidine-2-carboxylate
CID 113446554
2-[1-(3-nitro-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 61371100
N-ethyl-1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)ethanamine
CID 104729255
1-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)ethanone
CID 104730056
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
CID 61009168
1-pyrazolo[1,5-a]pyrazin-4-ylpiperidine-3-carboxamide
CID 172899821
2-[1-(3-methoxycarbonyl-2-pyridinyl)pyrrolidin-2-yl]acetic acid
CID 62000482
(4-methyl-1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)methanamine
CID 103442320
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149

Frequently Asked Questions

What is the IUPAC name of 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid?
The IUPAC name of 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid (CID 104729407) is 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid.
What is the SMILES notation for 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid?
The canonical SMILES for 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid is O=C(O)CC1CCCCN1c1nccn2nccc12.
What is the InChIKey of 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid?
The InChIKey is ZMDMHDFXDXRSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-12(19)9-10-3-1-2-7-16(10)13-11-4-5-15-17(11)8-6-14-13/h4-6,8,10H,1-3,7,9H2,(H,18,19).
What are the key properties of 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid?
2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid has a molecular weight of 260.30 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-2-yl)acetic acid is sourced from PubChem (CID 104729407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).