2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide

C16H19BrN4O2 — CID 166308598

IUPAC2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide
SMILESNC(=O)C(c1cccc(Br)c1)N1Cc2ccnn2CC(CO)C1
InChIInChI=1S/C16H19BrN4O2/c17-13-3-1-2-12(6-13)15(16(18)23)20-7-11(10-22)8-21-14(9-20)4-5-19-21/h1-6,11,15,22H,7-10H2,(H2,18,23)
InChIKeyUNZUVYPBOBUYQN-UHFFFAOYSA-N
MW379.26 g/mol
LogP1.30
Rot. Bonds4

About 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide

2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide (PubChem CID 166308598) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide
PubChem CID166308598
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide
SMILESNC(=O)C(c1cccc(Br)c1)N1Cc2ccnn2CC(CO)C1
InChIInChI=1S/C16H19BrN4O2/c17-13-3-1-2-12(6-13)15(16(18)23)20-7-11(10-22)8-21-14(9-20)4-5-19-21/h1-6,11,15,22H,7-10H2,(H2,18,23)
InChIKeyUNZUVYPBOBUYQN-UHFFFAOYSA-N
XLogP1.30
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide 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 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide (CID 166308598) is 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide is NC(=O)C(c1cccc(Br)c1)N1Cc2ccnn2CC(CO)C1.
What is the InChIKey of 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide?
The InChIKey is UNZUVYPBOBUYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c17-13-3-1-2-12(6-13)15(16(18)23)20-7-11(10-22)8-21-14(9-20)4-5-19-21/h1-6,11,15,22H,7-10H2,(H2,18,23).
What are the key properties of 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide?
2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide has a molecular weight of 379.26 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-2-[7-(hydroxymethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]acetamide is sourced from PubChem (CID 166308598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).