2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

C15H24N6O — CID 90653916

IUPAC2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C15H24N6O/c1-19(2)10-14(22)13-8-12-9-20(6-3-7-21(12)18-13)11-15-16-4-5-17-15/h4-5,8,14,22H,3,6-7,9-11H2,1-2H3,(H,16,17)
InChIKeyFPLUJLHYXKVNIA-UHFFFAOYSA-N
MW304.40 g/mol
LogP0.61
Rot. Bonds5

About 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol

2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (PubChem CID 90653916) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.

Molecular Properties

Compound Name2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
PubChem CID90653916
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol
SMILESCN(C)CC(O)c1cc2n(n1)CCCN(Cc1ncc[nH]1)C2
InChIInChI=1S/C15H24N6O/c1-19(2)10-14(22)13-8-12-9-20(6-3-7-21(12)18-13)11-15-16-4-5-17-15/h4-5,8,14,22H,3,6-7,9-11H2,1-2H3,(H,16,17)
InChIKeyFPLUJLHYXKVNIA-UHFFFAOYSA-N
XLogP0.61
TPSA73.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The IUPAC name of 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol (CID 90653916) is 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol.
What is the SMILES notation for 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The canonical SMILES for 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is CN(C)CC(O)c1cc2n(n1)CCCN(Cc1ncc[nH]1)C2.
What is the InChIKey of 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
The InChIKey is FPLUJLHYXKVNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-19(2)10-14(22)13-8-12-9-20(6-3-7-21(12)18-13)11-15-16-4-5-17-15/h4-5,8,14,22H,3,6-7,9-11H2,1-2H3,(H,16,17).
What are the key properties of 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol?
2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol has a molecular weight of 304.40 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[5-(1H-imidazol-2-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]ethanol is sourced from PubChem (CID 90653916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).