2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol

C14H27N5O — CID 107213981

IUPAC2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol
SMILESCCCn1nc(C)c(N)c1N1CCCN(CCO)CC1
InChIInChI=1S/C14H27N5O/c1-3-5-19-14(13(15)12(2)16-19)18-7-4-6-17(8-9-18)10-11-20/h20H,3-11,15H2,1-2H3
InChIKeyZBXJCHIEAXUWIQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP0.69
Rot. Bonds5

About 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol

2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol (PubChem CID 107213981) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol
PubChem CID107213981
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol
SMILESCCCn1nc(C)c(N)c1N1CCCN(CCO)CC1
InChIInChI=1S/C14H27N5O/c1-3-5-19-14(13(15)12(2)16-19)18-7-4-6-17(8-9-18)10-11-20/h20H,3-11,15H2,1-2H3
InChIKeyZBXJCHIEAXUWIQ-UHFFFAOYSA-N
XLogP0.69
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(azetidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 130546598
5-(azocan-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66028751
2-[4-(4-amino-1,3-dimethylpyrazol-5-yl)piperazin-1-yl]ethanol
CID 43554317
[1-(4-amino-3-methyl-1-propylpyrazol-5-yl)piperidin-4-yl]methanol
CID 66029931
3-methyl-1-propyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66029991
3-methyl-5-(4-propan-2-ylazepan-1-yl)-1-propylpyrazol-4-amine
CID 66029993
1-ethyl-3-methyl-5-piperidin-1-ylpyrazol-4-amine
CID 66012579
2-[4-(6-amino-5-methyl-2-propylpyrimidin-4-yl)-1,4-diazepan-1-yl]ethanol
CID 107226730
3-methyl-5-(2-piperidin-1-ylethoxy)-1-propylpyrazol-4-amine
CID 66029042
[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)piperidin-3-yl]methanol
CID 66012620
5-N,3-dimethyl-1-propyl-5-N-(2-pyrrolidin-1-ylethyl)pyrazole-4,5-diamine
CID 66029209
5-(2,3-dimethylpiperidin-1-yl)-3-methyl-1-propylpyrazol-4-amine
CID 66027460

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol (CID 107213981) is 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol is CCCn1nc(C)c(N)c1N1CCCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
The InChIKey is ZBXJCHIEAXUWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-3-5-19-14(13(15)12(2)16-19)18-7-4-6-17(8-9-18)10-11-20/h20H,3-11,15H2,1-2H3.
What are the key properties of 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol?
2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol has a molecular weight of 281.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-3-methyl-1-propylpyrazol-5-yl)-1,4-diazepan-1-yl]ethanol is sourced from PubChem (CID 107213981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).