2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol

C9H14ClN3O — CID 164649883

IUPAC2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol
SMILESCn1ncc(NC2CCCC2O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-13-9(10)7(5-11-13)12-6-3-2-4-8(6)14/h5-6,8,12,14H,2-4H2,1H3
InChIKeyVFRWVQNFJFLFLN-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.40
Rot. Bonds2

About 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol

2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol (PubChem CID 164649883) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol
PubChem CID164649883
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol
SMILESCn1ncc(NC2CCCC2O)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-13-9(10)7(5-11-13)12-6-3-2-4-8(6)14/h5-6,8,12,14H,2-4H2,1H3
InChIKeyVFRWVQNFJFLFLN-UHFFFAOYSA-N
XLogP1.40
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol?
The IUPAC name of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol (CID 164649883) is 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol?
The canonical SMILES for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol is Cn1ncc(NC2CCCC2O)c1Cl.
What is the InChIKey of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol?
The InChIKey is VFRWVQNFJFLFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-13-9(10)7(5-11-13)12-6-3-2-4-8(6)14/h5-6,8,12,14H,2-4H2,1H3.
What are the key properties of 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol?
2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol has a molecular weight of 215.68 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1-methylpyrazol-4-yl)amino]cyclopentan-1-ol is sourced from PubChem (CID 164649883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).