ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate

C19H29N5O3 — CID 125446877

IUPACethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](N2CCn3nc(CNC(=O)C4CCC4)cc3C2)C1
InChIInChI=1S/C19H29N5O3/c1-2-27-19(26)23-7-6-16(12-23)22-8-9-24-17(13-22)10-15(21-24)11-20-18(25)14-4-3-5-14/h10,14,16H,2-9,11-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyBZELYBXJSHHHJT-INIZCTEOSA-N
MW375.47 g/mol
LogP1.35
Rot. Bonds5

About ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate

ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate (PubChem CID 125446877) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nameethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate
PubChem CID125446877
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Nameethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)N1CC[C@H](N2CCn3nc(CNC(=O)C4CCC4)cc3C2)C1
InChIInChI=1S/C19H29N5O3/c1-2-27-19(26)23-7-6-16(12-23)22-8-9-24-17(13-22)10-15(21-24)11-20-18(25)14-4-3-5-14/h10,14,16H,2-9,11-13H2,1H3,(H,20,25)/t16-/m0/s1
InChIKeyBZELYBXJSHHHJT-INIZCTEOSA-N
XLogP1.35
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate?
The IUPAC name of ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate (CID 125446877) is ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate is CCOC(=O)N1CC[C@H](N2CCn3nc(CNC(=O)C4CCC4)cc3C2)C1.
What is the InChIKey of ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate?
The InChIKey is BZELYBXJSHHHJT-INIZCTEOSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-2-27-19(26)23-7-6-16(12-23)22-8-9-24-17(13-22)10-15(21-24)11-20-18(25)14-4-3-5-14/h10,14,16H,2-9,11-13H2,1H3,(H,20,25)/t16-/m0/s1.
What are the key properties of ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate?
ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate has a molecular weight of 375.47 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-[2-[(cyclobutanecarbonylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 125446877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).