2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol

C11H17N3O — CID 145225270

IUPAC2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol
SMILESCN1c2cc(C3CC3)nn2CCCC1O
InChIInChI=1S/C11H17N3O/c1-13-10-7-9(8-4-5-8)12-14(10)6-2-3-11(13)15/h7-8,11,15H,2-6H2,1H3
InChIKeyANHLGUIXDURIPS-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.31
Rot. Bonds1

About 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol

2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol (PubChem CID 145225270) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol
PubChem CID145225270
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol
SMILESCN1c2cc(C3CC3)nn2CCCC1O
InChIInChI=1S/C11H17N3O/c1-13-10-7-9(8-4-5-8)12-14(10)6-2-3-11(13)15/h7-8,11,15H,2-6H2,1H3
InChIKeyANHLGUIXDURIPS-UHFFFAOYSA-N
XLogP1.31
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol?
The IUPAC name of 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol (CID 145225270) is 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol.
What is the SMILES notation for 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol?
The canonical SMILES for 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol is CN1c2cc(C3CC3)nn2CCCC1O.
What is the InChIKey of 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol?
The InChIKey is ANHLGUIXDURIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-13-10-7-9(8-4-5-8)12-14(10)6-2-3-11(13)15/h7-8,11,15H,2-6H2,1H3.
What are the key properties of 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol?
2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol has a molecular weight of 207.28 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-5,6,7,8-tetrahydropyrazolo[1,5-a][1,3]diazepin-5-ol is sourced from PubChem (CID 145225270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).