4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine

C9H14ClN3O — CID 165481302

IUPAC4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
SMILESNc1nn(CCOC2CCC2)cc1Cl
InChIInChI=1S/C9H14ClN3O/c10-8-6-13(12-9(8)11)4-5-14-7-2-1-3-7/h6-7H,1-5H2,(H2,11,12)
InChIKeyOSOGJFLABMMPMC-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.69
Rot. Bonds4

About 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine

4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine (PubChem CID 165481302) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
PubChem CID165481302
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine
SMILESNc1nn(CCOC2CCC2)cc1Cl
InChIInChI=1S/C9H14ClN3O/c10-8-6-13(12-9(8)11)4-5-14-7-2-1-3-7/h6-7H,1-5H2,(H2,11,12)
InChIKeyOSOGJFLABMMPMC-UHFFFAOYSA-N
XLogP1.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclobutyloxyethyl)pyrazol-4-amine
CID 62137723
4-chloro-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazol-3-amine
CID 112589426
1-(2-cyclopropyloxyethyl)pyrazol-4-amine
CID 165480106
4-chloro-1-ethylpyrazol-3-amine
CID 19576739
4-chloro-1-(3-methoxy-3-methylbutyl)pyrazol-3-amine
CID 103033703
1-[2-(3-methylcyclohexyl)oxyethyl]pyrazol-3-amine
CID 63316335
4-chloro-1-(4-methylpent-3-enyl)pyrazol-3-amine
CID 165479395
5-bromo-1-(2-cyclopentyloxyethyl)-1,2,4-triazol-3-amine
CID 165480189
1-(2-cyclopentyloxyethyl)-5-methylpyrazol-4-amine
CID 165480190
1-(2-cyclohexyloxyethyl)triazole-4-carbohydrazide
CID 63588317
5-chloro-1-(2-cyclopentyloxyethyl)benzimidazol-2-amine
CID 63828806
2-chloro-4-[1-(2-cyclopentyloxyethyl)tetrazol-5-yl]aniline
CID 82779058

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine?
The IUPAC name of 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine (CID 165481302) is 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine.
What is the SMILES notation for 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine?
The canonical SMILES for 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine is Nc1nn(CCOC2CCC2)cc1Cl.
What is the InChIKey of 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine?
The InChIKey is OSOGJFLABMMPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c10-8-6-13(12-9(8)11)4-5-14-7-2-1-3-7/h6-7H,1-5H2,(H2,11,12).
What are the key properties of 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine?
4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine has a molecular weight of 215.68 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-cyclobutyloxyethyl)pyrazol-3-amine is sourced from PubChem (CID 165481302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).