methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate

C18H19N3O3 — CID 119103036

IUPACmethyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C18H19N3O3/c1-24-18(23)15-5-3-2-4-14(15)17(22)20-8-9-21-13(11-20)10-16(19-21)12-6-7-12/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNXRSOJZSIHQYDD-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.20
Rot. Bonds3

About methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate

methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate (PubChem CID 119103036) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
PubChem CID119103036
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Namemethyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
SMILESCOC(=O)c1ccccc1C(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C18H19N3O3/c1-24-18(23)15-5-3-2-4-14(15)17(22)20-8-9-21-13(11-20)10-16(19-21)12-6-7-12/h2-5,10,12H,6-9,11H2,1H3
InChIKeyNXRSOJZSIHQYDD-UHFFFAOYSA-N
XLogP2.20
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(furan-2-yl)methanone
CID 121020241
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-quinoxalin-2-ylmethanone
CID 119103044
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 121020279
4-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 119103032
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanone
CID 167898988
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(5-thiophen-3-yl-1H-pyrazol-4-yl)methanone
CID 136565975
N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide
CID 136565973
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(8-fluoroimidazo[1,5-a]pyridin-3-yl)methanone
CID 136565966
methyl 5-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
CID 50963781
2-cyclopropyl-N-[(1R,2S)-2-ethoxy-2-methylcyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 146105674
N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 119103049
methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 155938934

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate?
The IUPAC name of methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate (CID 119103036) is methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate.
What is the SMILES notation for methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate?
The canonical SMILES for methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate is COC(=O)c1ccccc1C(=O)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate?
The InChIKey is NXRSOJZSIHQYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-24-18(23)15-5-3-2-4-14(15)17(22)20-8-9-21-13(11-20)10-16(19-21)12-6-7-12/h2-5,10,12H,6-9,11H2,1H3.
What are the key properties of methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate?
methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate has a molecular weight of 325.37 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate is sourced from PubChem (CID 119103036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).