1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol

C14H26N4O — CID 63945445

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CCCCCC2)c(C)c1N
InChIInChI=1S/C14H26N4O/c1-11-14(15)12(2)18(16-11)10-13(19)9-17-7-5-3-4-6-8-17/h13,19H,3-10,15H2,1-2H3
InChIKeyIOCCAHSALCFDOQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol (PubChem CID 63945445) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
PubChem CID63945445
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol
SMILESCc1nn(CC(O)CN2CCCCCC2)c(C)c1N
InChIInChI=1S/C14H26N4O/c1-11-14(15)12(2)18(16-11)10-13(19)9-17-7-5-3-4-6-8-17/h13,19H,3-10,15H2,1-2H3
InChIKeyIOCCAHSALCFDOQ-UHFFFAOYSA-N
XLogP1.32
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol (CID 63945445) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol is Cc1nn(CC(O)CN2CCCCCC2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol?
The InChIKey is IOCCAHSALCFDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-11-14(15)12(2)18(16-11)10-13(19)9-17-7-5-3-4-6-8-17/h13,19H,3-10,15H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol has a molecular weight of 266.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(azepan-1-yl)propan-2-ol is sourced from PubChem (CID 63945445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).