(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate

C13H14N4O2 — CID 163809206

IUPAC(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate
SMILESNc1cc2n(n1)CCN(OC(=O)c1ccccc1)C2
InChIInChI=1S/C13H14N4O2/c14-12-8-11-9-16(6-7-17(11)15-12)19-13(18)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,14,15)
InChIKeyNLTZRLAAABYFIN-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.05
Rot. Bonds2

About (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate

(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate (PubChem CID 163809206) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate.

Molecular Properties

Compound Name(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate
PubChem CID163809206
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate
SMILESNc1cc2n(n1)CCN(OC(=O)c1ccccc1)C2
InChIInChI=1S/C13H14N4O2/c14-12-8-11-9-16(6-7-17(11)15-12)19-13(18)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,14,15)
InChIKeyNLTZRLAAABYFIN-UHFFFAOYSA-N
XLogP1.05
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(E)-[amino-(2-ethyl-5-methylpyrazol-3-yl)methylidene]amino] 4-(trifluoromethyl)benzoate
CID 5703926
[(Z)-[amino-(2-ethyl-5-methylpyrazol-3-yl)methylidene]amino] 4-tert-butylbenzoate
CID 9580845
N-(Benzoyloxy)-3,5-dimethyl-1H-pyrazole-1-propanimidamide
CID 9581068
[[Amino-(2-ethyl-5-methylpyrazol-3-yl)methylidene]amino] 4-(trifluoromethyl)benzoate
CID 2743815
[(Z)-[amino-(2-ethyl-5-methylpyrazol-3-yl)methylidene]amino] 4-(trifluoromethyl)benzoate
CID 9580844
(1Z)-N'-{[(4-methylphenyl)carbonyl]oxy}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanimidamide
CID 19589624
(1Z)-N'-{[(3-methylphenyl)carbonyl]oxy}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanimidamide
CID 19589727
(1Z)-N'-{[(2-fluorophenyl)carbonyl]oxy}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanimidamide
CID 19590433
(1Z)-N'-{[(4-fluorophenyl)carbonyl]oxy}-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanimidamide
CID 19590532
[(E)-[1-amino-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 2-fluorobenzoate
CID 51851999
[(E)-[1-amino-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-fluorobenzoate
CID 51852015
[(E)-[1-amino-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethylidene]amino] 4-methylbenzoate
CID 51852040

Frequently Asked Questions

What is the IUPAC name of (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate?
The IUPAC name of (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate (CID 163809206) is (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate.
What is the SMILES notation for (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate?
The canonical SMILES for (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate is Nc1cc2n(n1)CCN(OC(=O)c1ccccc1)C2.
What is the InChIKey of (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate?
The InChIKey is NLTZRLAAABYFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-12-8-11-9-16(6-7-17(11)15-12)19-13(18)10-4-2-1-3-5-10/h1-5,8H,6-7,9H2,(H2,14,15).
What are the key properties of (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate?
(2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate has a molecular weight of 258.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl) benzoate is sourced from PubChem (CID 163809206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).