6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

C14H23N3O2 — CID 146322898

IUPAC6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC(C)c1cc2n(n1)CC(=O)N(CC(C)(C)O)CC2
InChIInChI=1S/C14H23N3O2/c1-10(2)12-7-11-5-6-16(9-14(3,4)19)13(18)8-17(11)15-12/h7,10,19H,5-6,8-9H2,1-4H3
InChIKeyNYGGUIMBISHUQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.16
Rot. Bonds3

About 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one

6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (PubChem CID 146322898) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.

Molecular Properties

Compound Name6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
PubChem CID146322898
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one
SMILESCC(C)c1cc2n(n1)CC(=O)N(CC(C)(C)O)CC2
InChIInChI=1S/C14H23N3O2/c1-10(2)12-7-11-5-6-16(9-14(3,4)19)13(18)8-17(11)15-12/h7,10,19H,5-6,8-9H2,1-4H3
InChIKeyNYGGUIMBISHUQC-UHFFFAOYSA-N
XLogP1.16
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The IUPAC name of 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one (CID 146322898) is 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one.
What is the SMILES notation for 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The canonical SMILES for 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is CC(C)c1cc2n(n1)CC(=O)N(CC(C)(C)O)CC2.
What is the InChIKey of 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
The InChIKey is NYGGUIMBISHUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)12-7-11-5-6-16(9-14(3,4)19)13(18)8-17(11)15-12/h7,10,19H,5-6,8-9H2,1-4H3.
What are the key properties of 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one?
6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one has a molecular weight of 265.36 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-2-methylpropyl)-2-propan-2-yl-5,8-dihydro-4H-pyrazolo[1,5-d][1,4]diazepin-7-one is sourced from PubChem (CID 146322898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).