2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol

C14H26N4O — CID 64772847

IUPAC2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESCC(C)n1ccc(CN2CCCN(CCO)CC2)n1
InChIInChI=1S/C14H26N4O/c1-13(2)18-7-4-14(15-18)12-17-6-3-5-16(8-9-17)10-11-19/h4,7,13,19H,3,5-6,8-12H2,1-2H3
InChIKeyMRXWCJNPHOHIEF-UHFFFAOYSA-N
MW266.39 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol

2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol (PubChem CID 64772847) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
PubChem CID64772847
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol
SMILESCC(C)n1ccc(CN2CCCN(CCO)CC2)n1
InChIInChI=1S/C14H26N4O/c1-13(2)18-7-4-14(15-18)12-17-6-3-5-16(8-9-17)10-11-19/h4,7,13,19H,3,5-6,8-12H2,1-2H3
InChIKeyMRXWCJNPHOHIEF-UHFFFAOYSA-N
XLogP0.96
TPSA44.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol 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-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol (CID 64772847) is 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol is CC(C)n1ccc(CN2CCCN(CCO)CC2)n1.
What is the InChIKey of 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
The InChIKey is MRXWCJNPHOHIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-13(2)18-7-4-14(15-18)12-17-6-3-5-16(8-9-17)10-11-19/h4,7,13,19H,3,5-6,8-12H2,1-2H3.
What are the key properties of 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol?
2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol has a molecular weight of 266.39 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 64772847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).