(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid

C11H13N5O2 — CID 90187236

IUPAC(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C11H13N5O2/c17-11(18)14-8-2-5-15(7-8)10-9-1-3-13-16(9)6-4-12-10/h1,3-4,6,8,14H,2,5,7H2,(H,17,18)
InChIKeyISRKIYBVWFBBLL-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.58
Rot. Bonds2

About (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid

(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid (PubChem CID 90187236) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid
PubChem CID90187236
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid
SMILESO=C(O)NC1CCN(c2nccn3nccc23)C1
InChIInChI=1S/C11H13N5O2/c17-11(18)14-8-2-5-15(7-8)10-9-1-3-13-16(9)6-4-12-10/h1,3-4,6,8,14H,2,5,7H2,(H,17,18)
InChIKeyISRKIYBVWFBBLL-UHFFFAOYSA-N
XLogP0.58
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(Cyclopentylamino)imidazo[1,2-b]pyridazin-8-yl]-(3,3,3-trifluoropropyl)carbamic acid
CID 66691540
(2S)-2-[[[3-(difluoromethyl)imidazo[1,2-b]pyridazin-6-yl]amino]methyl]pyrrolidine-1-carboxylic acid
CID 141385920
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]pyrazolo[1,5-a]pyrazin-6-amine
CID 164559314
[(3S,4R)-3-fluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 169711768
[4-Fluoro-1-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]piperidin-4-yl]methylcarbamic acid
CID 169716572
US11427590, Entry 15-PROV
CID 135217262
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730750
N-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731421
N-(2,2-difluoroethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731965
N-(4,4,4-trifluorobutyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731975
N-(4,4,4-trifluorobutan-2-yl)pyrazolo[1,5-a]pyrazin-4-amine
CID 105940408
N'-(2,2-difluoroethyl)-N'-pyrazolo[1,5-a]pyrazin-4-ylethane-1,2-diamine
CID 107494006

Frequently Asked Questions

What is the IUPAC name of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid?
The IUPAC name of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid (CID 90187236) is (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid.
What is the SMILES notation for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid?
The canonical SMILES for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid is O=C(O)NC1CCN(c2nccn3nccc23)C1.
What is the InChIKey of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid?
The InChIKey is ISRKIYBVWFBBLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11(18)14-8-2-5-15(7-8)10-9-1-3-13-16(9)6-4-12-10/h1,3-4,6,8,14H,2,5,7H2,(H,17,18).
What are the key properties of (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid?
(1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid has a molecular weight of 247.26 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pyrazolo[1,5-a]pyrazin-4-ylpyrrolidin-3-yl)carbamic acid is sourced from PubChem (CID 90187236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).