N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine

C11H20N4 — CID 66216526

IUPACN-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
SMILESCCCN(CCn1cccn1)C1CNC1
InChIInChI=1S/C11H20N4/c1-2-5-14(11-9-12-10-11)7-8-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3
InChIKeyKUUOYYQWWYAGRD-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.57
Rot. Bonds6

About N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine

N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine (PubChem CID 66216526) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
PubChem CID66216526
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine
SMILESCCCN(CCn1cccn1)C1CNC1
InChIInChI=1S/C11H20N4/c1-2-5-14(11-9-12-10-11)7-8-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3
InChIKeyKUUOYYQWWYAGRD-UHFFFAOYSA-N
XLogP0.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine?
The IUPAC name of N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine (CID 66216526) is N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine.
What is the SMILES notation for N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine?
The canonical SMILES for N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine is CCCN(CCn1cccn1)C1CNC1.
What is the InChIKey of N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine?
The InChIKey is KUUOYYQWWYAGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-5-14(11-9-12-10-11)7-8-15-6-3-4-13-15/h3-4,6,11-12H,2,5,7-10H2,1H3.
What are the key properties of N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine?
N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.57, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-N-(2-pyrazol-1-ylethyl)azetidin-3-amine is sourced from PubChem (CID 66216526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).