4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol

C17H19N5O — CID 56910784

IUPAC4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2-c2cc3n(n2)CCCNC3)cc1
InChIInChI=1S/C17H19N5O/c23-15-4-2-13(3-5-15)12-21-9-7-19-17(21)16-10-14-11-18-6-1-8-22(14)20-16/h2-5,7,9-10,18,23H,1,6,8,11-12H2
InChIKeyQDMNQHYDWVUWFS-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.99
Rot. Bonds3

About 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol

4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol (PubChem CID 56910784) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
PubChem CID56910784
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2-c2cc3n(n2)CCCNC3)cc1
InChIInChI=1S/C17H19N5O/c23-15-4-2-13(3-5-15)12-21-9-7-19-17(21)16-10-14-11-18-6-1-8-22(14)20-16/h2-5,7,9-10,18,23H,1,6,8,11-12H2
InChIKeyQDMNQHYDWVUWFS-UHFFFAOYSA-N
XLogP1.99
TPSA67.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol (CID 56910784) is 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol is Oc1ccc(Cn2ccnc2-c2cc3n(n2)CCCNC3)cc1.
What is the InChIKey of 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol?
The InChIKey is QDMNQHYDWVUWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c23-15-4-2-13(3-5-15)12-21-9-7-19-17(21)16-10-14-11-18-6-1-8-22(14)20-16/h2-5,7,9-10,18,23H,1,6,8,11-12H2.
What are the key properties of 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol?
4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol has a molecular weight of 309.37 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 56910784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).