3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine

C14H25N3 — CID 166994946

IUPAC3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine
SMILESCC1=CN(C2CC(CCCN)C2)NC1C1CC1
InChIInChI=1S/C14H25N3/c1-10-9-17(16-14(10)12-4-5-12)13-7-11(8-13)3-2-6-15/h9,11-14,16H,2-8,15H2,1H3
InChIKeyMGJHMQMOFLBKEL-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.01
Rot. Bonds5

About 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine

3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine (PubChem CID 166994946) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine.

Molecular Properties

Compound Name3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine
PubChem CID166994946
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine
SMILESCC1=CN(C2CC(CCCN)C2)NC1C1CC1
InChIInChI=1S/C14H25N3/c1-10-9-17(16-14(10)12-4-5-12)13-7-11(8-13)3-2-6-15/h9,11-14,16H,2-8,15H2,1H3
InChIKeyMGJHMQMOFLBKEL-UHFFFAOYSA-N
XLogP2.01
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine?
The IUPAC name of 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine (CID 166994946) is 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine.
What is the SMILES notation for 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine?
The canonical SMILES for 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine is CC1=CN(C2CC(CCCN)C2)NC1C1CC1.
What is the InChIKey of 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine?
The InChIKey is MGJHMQMOFLBKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10-9-17(16-14(10)12-4-5-12)13-7-11(8-13)3-2-6-15/h9,11-14,16H,2-8,15H2,1H3.
What are the key properties of 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine?
3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-cyclopropyl-4-methyl-1,5-dihydropyrazol-2-yl)cyclobutyl]propan-1-amine is sourced from PubChem (CID 166994946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).