1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol

C10H17FN4O — CID 89456778

IUPAC1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol
SMILESCn1ncc(N)c1N1CCC(O)CC(F)C1
InChIInChI=1S/C10H17FN4O/c1-14-10(9(12)5-13-14)15-3-2-8(16)4-7(11)6-15/h5,7-8,16H,2-4,6,12H2,1H3
InChIKeyCGMGLNQHTNTFHV-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.30
Rot. Bonds1

About 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol

1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol (PubChem CID 89456778) has the molecular formula C10H17FN4O and a molecular weight of 228.27 g/mol. Its IUPAC name is 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol.

Molecular Properties

Compound Name1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol
PubChem CID89456778
Molecular FormulaC10H17FN4O
Molecular Weight228.27 g/mol
Exact Mass228.14
IUPAC Name1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol
SMILESCn1ncc(N)c1N1CCC(O)CC(F)C1
InChIInChI=1S/C10H17FN4O/c1-14-10(9(12)5-13-14)15-3-2-8(16)4-7(11)6-15/h5,7-8,16H,2-4,6,12H2,1H3
InChIKeyCGMGLNQHTNTFHV-UHFFFAOYSA-N
XLogP0.30
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R,5R)-5-azido-1-(1-methyl-4-nitropyrazol-5-yl)azepan-4-ol
CID 138974070
2-[4-Amino-5-(3,3-difluoropiperidin-1-yl)pyrazol-1-yl]ethanol
CID 70802058
1-(1-(2,2-difluoroethyl)-4-nitro-1H-pyrazol-5-yl)azepan-4-ol
CID 86679968
1-(4-amino-1-(2,2-difluoroethyl)-1H-pyrazol-5-yl)azepan-4-ol
CID 86679970
5-azido-1-(1-(2,2-difluoroethyl)-4-nitro-1H-pyrazol-5-yl)azepan-4-ol
CID 86680002
N-(1-(4-amino-1-methyl-1H-pyrazol-5-yl)-5-methoxyazepan-4-yl)-2,2,2-trifluoroacetamide
CID 86680102
N-(1-(4-amino-1-methyl-1H-pyrazol-5-yl)-5-hydroxyazepan-4-yl)-2,2,2-trifluoroacetamide
CID 86680117
(4R)-1-(4-amino-1-methylpyrazol-5-yl)-6,6-difluoroazepan-4-amine
CID 89456595
N-(1-(4-amino-1-methyl-1H-pyrazol-5-yl)-5-hydroxy-4-methylazepan-4-yl)-2,2,2-trifluoroacetamide
CID 89456771
1-(4-Amino-2-methylpyrazol-3-yl)-6,6-difluoroazepan-4-amine
CID 89456783
1-(4-Amino-1-methylpyrazol-5-yl)-6,6-difluoroazepan-4-ol
CID 89457336
N-[(4R,5S)-1-(4-amino-2-methylpyrazol-3-yl)-5-hydroxyazepan-4-yl]-2,2,2-trifluoroacetamide
CID 89457835

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol?
The IUPAC name of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol (CID 89456778) is 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol.
What is the SMILES notation for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol?
The canonical SMILES for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol is Cn1ncc(N)c1N1CCC(O)CC(F)C1.
What is the InChIKey of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol?
The InChIKey is CGMGLNQHTNTFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN4O/c1-14-10(9(12)5-13-14)15-3-2-8(16)4-7(11)6-15/h5,7-8,16H,2-4,6,12H2,1H3.
What are the key properties of 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol?
1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol has a molecular weight of 228.27 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-1-methylpyrazol-5-yl)-6-fluoroazepan-4-ol is sourced from PubChem (CID 89456778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).