1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine

C10H17N3 — CID 65462456

IUPAC1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CC2CCC2)c1
InChIInChI=1S/C10H17N3/c1-8(11)10-5-12-13(7-10)6-9-3-2-4-9/h5,7-9H,2-4,6,11H2,1H3
InChIKeyWXQHYPFVKUYFEG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine

1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine (PubChem CID 65462456) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
PubChem CID65462456
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine
SMILESCC(N)c1cnn(CC2CCC2)c1
InChIInChI=1S/C10H17N3/c1-8(11)10-5-12-13(7-10)6-9-3-2-4-9/h5,7-9H,2-4,6,11H2,1H3
InChIKeyWXQHYPFVKUYFEG-UHFFFAOYSA-N
XLogP1.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine (CID 65462456) is 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine is CC(N)c1cnn(CC2CCC2)c1.
What is the InChIKey of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
The InChIKey is WXQHYPFVKUYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8(11)10-5-12-13(7-10)6-9-3-2-4-9/h5,7-9H,2-4,6,11H2,1H3.
What are the key properties of 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine?
1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclobutylmethyl)pyrazol-4-yl]ethanamine is sourced from PubChem (CID 65462456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).