benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate

C17H21N3O2 — CID 169194253

IUPACbenzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate
SMILESCCc1cnn2c1CN(CC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C17H21N3O2/c1-2-15-10-18-20-9-8-19(11-16(15)20)12-17(21)22-13-14-6-4-3-5-7-14/h3-7,10H,2,8-9,11-13H2,1H3
InChIKeyCWACAENEFMPXLY-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.00
Rot. Bonds5

About benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate

benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate (PubChem CID 169194253) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate.

Molecular Properties

Compound Namebenzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate
PubChem CID169194253
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Namebenzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate
SMILESCCc1cnn2c1CN(CC(=O)OCc1ccccc1)CC2
InChIInChI=1S/C17H21N3O2/c1-2-15-10-18-20-9-8-19(11-16(15)20)12-17(21)22-13-14-6-4-3-5-7-14/h3-7,10H,2,8-9,11-13H2,1H3
InChIKeyCWACAENEFMPXLY-UHFFFAOYSA-N
XLogP2.00
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 2-[4-(2-oxo-2-phenylmethoxyethyl)-1,4-diazepan-1-yl]acetate
CID 101385594
benzyl 2-(azetidin-1-yl)acetate
CID 140980014
2-[4-(2-oxo-2-phenylmethoxyethyl)-7,10-bis(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 121480439
4-ethyl-1-(2-oxo-2-phenylmethoxyethyl)-2,5-dihydropyrrole-3-carboxylic acid
CID 134213167
(5-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methanamine
CID 138466026
benzyl 2-[3-(dihydroxymethyl)-4-ethyl-2,5-dihydropyrrol-1-yl]acetate
CID 166853142
3-ethyl-5-(2-methylpropyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 169194372
benzyl 2-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90561830
benzyl 2-[4-(2-aminoacetyl)piperazin-1-yl]acetate
CID 67570184
methyl 2-[7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4,10-bis(2-oxo-2-phenylmethoxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 118103309
benzyl 2-[4-(2-methylperoxyethyl)-7,10-dipropyl-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 22971865
benzyl 2-[4-[[(2R)-oxiran-2-yl]methyl]piperazin-1-yl]acetate
CID 167020418

Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate?
The IUPAC name of benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate (CID 169194253) is benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate.
What is the SMILES notation for benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate?
The canonical SMILES for benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate is CCc1cnn2c1CN(CC(=O)OCc1ccccc1)CC2.
What is the InChIKey of benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate?
The InChIKey is CWACAENEFMPXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-2-15-10-18-20-9-8-19(11-16(15)20)12-17(21)22-13-14-6-4-3-5-7-14/h3-7,10H,2,8-9,11-13H2,1H3.
What are the key properties of benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate?
benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate has a molecular weight of 299.37 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-ethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)acetate is sourced from PubChem (CID 169194253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).