1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one

C17H20N4O2 — CID 135721252

IUPAC1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
SMILESCCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2
InChIInChI=1S/C17H20N4O2/c1-4-21-16-15(14(20-21)10(2)3)19-13(9-18-17(16)23)11-5-7-12(22)8-6-11/h5-8,10,22H,4,9H2,1-3H3,(H,18,23)
InChIKeyFDGMETLKDISSFF-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.60
Rot. Bonds3

About 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one

1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one (PubChem CID 135721252) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one.

Molecular Properties

Compound Name1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
PubChem CID135721252
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
SMILESCCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2
InChIInChI=1S/C17H20N4O2/c1-4-21-16-15(14(20-21)10(2)3)19-13(9-18-17(16)23)11-5-7-12(22)8-6-11/h5-8,10,22H,4,9H2,1-3H3,(H,18,23)
InChIKeyFDGMETLKDISSFF-UHFFFAOYSA-N
XLogP2.60
TPSA79.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The IUPAC name of 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one (CID 135721252) is 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one.
What is the SMILES notation for 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The canonical SMILES for 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one is CCn1nc(C(C)C)c2c1C(=O)NCC(c1ccc(O)cc1)=N2.
What is the InChIKey of 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
The InChIKey is FDGMETLKDISSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-21-16-15(14(20-21)10(2)3)19-13(9-18-17(16)23)11-5-7-12(22)8-6-11/h5-8,10,22H,4,9H2,1-3H3,(H,18,23).
What are the key properties of 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one?
1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one has a molecular weight of 312.37 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(4-hydroxyphenyl)-3-propan-2-yl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one is sourced from PubChem (CID 135721252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).