3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol

C9H14BrN3O — CID 114637212

IUPAC3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
SMILESCn1ncc(Br)c1C1(O)CCC(N)C1
InChIInChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-6(11)4-9/h5-6,14H,2-4,11H2,1H3
InChIKeyPBYZWLVPHAGIFN-UHFFFAOYSA-N
MW260.13 g/mol
LogP0.88
Rot. Bonds1

About 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol

3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol (PubChem CID 114637212) has the molecular formula C9H14BrN3O and a molecular weight of 260.13 g/mol. Its IUPAC name is 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
PubChem CID114637212
Molecular FormulaC9H14BrN3O
Molecular Weight260.13 g/mol
Exact Mass259.03
IUPAC Name3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol
SMILESCn1ncc(Br)c1C1(O)CCC(N)C1
InChIInChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-6(11)4-9/h5-6,14H,2-4,11H2,1H3
InChIKeyPBYZWLVPHAGIFN-UHFFFAOYSA-N
XLogP0.88
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-4,4-dimethylcyclohexan-1-ol
CID 114635925
4-(4-bromo-1-methylpyrazol-5-yl)-1,2-dimethylpiperidin-4-ol
CID 114637377
3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114633976
1-(4-bromo-1-methylpyrazol-5-yl)-2,4-dimethylcyclohexan-1-ol
CID 114636063
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-(4-bromo-1-methylpyrazol-5-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 114637955
1-(4-methoxy-1-methylpyrazol-5-yl)-3-methylcyclopentan-1-ol
CID 114635969
3-amino-1-(1-methylimidazol-2-yl)cyclopentan-1-ol
CID 80562885
3-(4-bromo-1-methylpyrazol-5-yl)-4-methylthiolan-3-ol
CID 130520171
4-bromo-1-methyl-5-[(1R,5R)-6-oxabicyclo[3.1.0]hexan-1-yl]pyrazole
CID 125425806
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-ethylcyclohexan-1-ol
CID 114635903
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-4-ethylcycloheptan-1-ol
CID 114636272

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol?
The IUPAC name of 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol (CID 114637212) is 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol?
The canonical SMILES for 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol is Cn1ncc(Br)c1C1(O)CCC(N)C1.
What is the InChIKey of 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol?
The InChIKey is PBYZWLVPHAGIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3O/c1-13-8(7(10)5-12-13)9(14)3-2-6(11)4-9/h5-6,14H,2-4,11H2,1H3.
What are the key properties of 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol?
3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol has a molecular weight of 260.13 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-bromo-1-methylpyrazol-5-yl)cyclopentan-1-ol is sourced from PubChem (CID 114637212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).