1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine

C11H16ClN3 — CID 84790756

IUPAC1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCn1nc(C2CCC2)c(C2(N)CC2)c1Cl
InChIInChI=1S/C11H16ClN3/c1-15-10(12)8(11(13)5-6-11)9(14-15)7-3-2-4-7/h7H,2-6,13H2,1H3
InChIKeyBATDZGWQOVGQFJ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.29
Rot. Bonds2

About 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine

1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine (PubChem CID 84790756) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
PubChem CID84790756
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine
SMILESCn1nc(C2CCC2)c(C2(N)CC2)c1Cl
InChIInChI=1S/C11H16ClN3/c1-15-10(12)8(11(13)5-6-11)9(14-15)7-3-2-4-7/h7H,2-6,13H2,1H3
InChIKeyBATDZGWQOVGQFJ-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The IUPAC name of 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine (CID 84790756) is 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine is Cn1nc(C2CCC2)c(C2(N)CC2)c1Cl.
What is the InChIKey of 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
The InChIKey is BATDZGWQOVGQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-15-10(12)8(11(13)5-6-11)9(14-15)7-3-2-4-7/h7H,2-6,13H2,1H3.
What are the key properties of 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine?
1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine has a molecular weight of 225.72 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-3-cyclobutyl-1-methylpyrazol-4-yl)cyclopropan-1-amine is sourced from PubChem (CID 84790756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).