N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide

C19H22N4O2 — CID 136565973

IUPACN-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)20-16-4-2-3-14(9-16)10-19(25)22-7-8-23-17(12-22)11-18(21-23)15-5-6-15/h2-4,9,11,15H,5-8,10,12H2,1H3,(H,20,24)
InChIKeyXCKIPBIUBUYCKY-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.30
Rot. Bonds4

About N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide

N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide (PubChem CID 136565973) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide
PubChem CID136565973
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)c1
InChIInChI=1S/C19H22N4O2/c1-13(24)20-16-4-2-3-14(9-16)10-19(25)22-7-8-23-17(12-22)11-18(21-23)15-5-6-15/h2-4,9,11,15H,5-8,10,12H2,1H3,(H,20,24)
InChIKeyXCKIPBIUBUYCKY-UHFFFAOYSA-N
XLogP2.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
N-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]-N-methylmethanesulfonamide
CID 119103049
methyl 2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl)benzoate
CID 119103036
2-cyclopropyl-N-[4-[(dimethylamino)methyl]-2-pyridinyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 138025919
(2-chloro-6-fluorophenyl)-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 121020243
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 121020279
(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-quinoxalin-2-ylmethanone
CID 119103044
2-cyclopropyl-N-[(1R,2S)-2-ethoxy-2-methylcyclopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 146105674
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119899019
1-[2-(3-methylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-2-[3-(trifluoromethyl)phenyl]ethanone
CID 53165035
N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]-1H-pyrrole-2-carboxamide
CID 71865914

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide?
The IUPAC name of N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide (CID 136565973) is N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide is CC(=O)Nc1cccc(CC(=O)N2CCn3nc(C4CC4)cc3C2)c1.
What is the InChIKey of N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide?
The InChIKey is XCKIPBIUBUYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(24)20-16-4-2-3-14(9-16)10-19(25)22-7-8-23-17(12-22)11-18(21-23)15-5-6-15/h2-4,9,11,15H,5-8,10,12H2,1H3,(H,20,24).
What are the key properties of N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide?
N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide has a molecular weight of 338.41 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-oxoethyl]phenyl]acetamide is sourced from PubChem (CID 136565973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).