2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid

C13H16N4O2 — CID 104729585

IUPAC2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2nccn3nccc23)CCCC1
InChIInChI=1S/C13H16N4O2/c18-11(19)9-13(4-1-2-5-13)16-12-10-3-6-15-17(10)8-7-14-12/h3,6-8H,1-2,4-5,9H2,(H,14,16)(H,18,19)
InChIKeySEBHGYHMWQGWHI-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.93
Rot. Bonds4

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

2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid (PubChem CID 104729585) 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-ylamino)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
PubChem CID104729585
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid
SMILESO=C(O)CC1(Nc2nccn3nccc23)CCCC1
InChIInChI=1S/C13H16N4O2/c18-11(19)9-13(4-1-2-5-13)16-12-10-3-6-15-17(10)8-7-14-12/h3,6-8H,1-2,4-5,9H2,(H,14,16)(H,18,19)
InChIKeySEBHGYHMWQGWHI-UHFFFAOYSA-N
XLogP1.93
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-[(3-cyano-2-pyridinyl)amino]cyclohexyl]acetic acid
CID 64700995
3-(pyrazolo[1,5-a]pyrazin-4-ylamino)oxolane-3-carboxylic acid
CID 104729597
2-[1-[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]cyclobutyl]acetic acid
CID 103385131
1-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclopentan-1-ol
CID 113446380
2-[1-[(3-methoxycarbonyl-2-pyridinyl)amino]cyclopentyl]acetic acid
CID 64700190
2-[1-(pyrimidin-2-ylamino)cyclohexyl]acetic acid
CID 64701184
2-[1-[(1-ethylimidazol-2-yl)amino]cyclohexyl]acetic acid
CID 64700993
2-[1-[(5-bromoisoquinolin-1-yl)amino]cyclopentyl]acetic acid
CID 106536221
2-[1-[(3-carbamoylpyrazin-2-yl)amino]cyclohexyl]acetic acid
CID 64702363
2-[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]acetic acid
CID 79846545
2-[1-(pyridin-4-ylamino)cyclopentyl]acetic acid
CID 64701158
N-[(1-aminocyclobutyl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 103353997

Frequently Asked Questions

What is the IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid (CID 104729585) is 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid is O=C(O)CC1(Nc2nccn3nccc23)CCCC1.
What is the InChIKey of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid?
The InChIKey is SEBHGYHMWQGWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c18-11(19)9-13(4-1-2-5-13)16-12-10-3-6-15-17(10)8-7-14-12/h3,6-8H,1-2,4-5,9H2,(H,14,16)(H,18,19).
What are the key properties of 2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid?
2-[1-(pyrazolo[1,5-a]pyrazin-4-ylamino)cyclopentyl]acetic acid has a molecular weight of 260.30 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 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-ylamino)cyclopentyl]acetic acid is sourced from PubChem (CID 104729585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).