cyclobutyl-(1-methylpyrazol-4-yl)methanamine

C9H15N3 — CID 43124235

IUPACcyclobutyl-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)C2CCC2)cn1
InChIInChI=1S/C9H15N3/c1-12-6-8(5-11-12)9(10)7-3-2-4-7/h5-7,9H,2-4,10H2,1H3
InChIKeyOWYCPUFNFNEFKJ-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.22
Rot. Bonds2

About cyclobutyl-(1-methylpyrazol-4-yl)methanamine

cyclobutyl-(1-methylpyrazol-4-yl)methanamine (PubChem CID 43124235) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is cyclobutyl-(1-methylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Namecyclobutyl-(1-methylpyrazol-4-yl)methanamine
PubChem CID43124235
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Namecyclobutyl-(1-methylpyrazol-4-yl)methanamine
SMILESCn1cc(C(N)C2CCC2)cn1
InChIInChI=1S/C9H15N3/c1-12-6-8(5-11-12)9(10)7-3-2-4-7/h5-7,9H,2-4,10H2,1H3
InChIKeyOWYCPUFNFNEFKJ-UHFFFAOYSA-N
XLogP1.22
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-(1-methylpyrazol-4-yl)methanamine?
The IUPAC name of cyclobutyl-(1-methylpyrazol-4-yl)methanamine (CID 43124235) is cyclobutyl-(1-methylpyrazol-4-yl)methanamine.
What is the SMILES notation for cyclobutyl-(1-methylpyrazol-4-yl)methanamine?
The canonical SMILES for cyclobutyl-(1-methylpyrazol-4-yl)methanamine is Cn1cc(C(N)C2CCC2)cn1.
What is the InChIKey of cyclobutyl-(1-methylpyrazol-4-yl)methanamine?
The InChIKey is OWYCPUFNFNEFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-12-6-8(5-11-12)9(10)7-3-2-4-7/h5-7,9H,2-4,10H2,1H3.
What are the key properties of cyclobutyl-(1-methylpyrazol-4-yl)methanamine?
cyclobutyl-(1-methylpyrazol-4-yl)methanamine has a molecular weight of 165.24 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-(1-methylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43124235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).