1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine

C11H20N4 — CID 82871073

IUPAC1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2ccn(C)n2)C1
InChIInChI=1S/C11H20N4/c1-3-5-11(12)8-15(9-11)7-10-4-6-14(2)13-10/h4,6H,3,5,7-9,12H2,1-2H3
InChIKeyGNZMOZIEXRSVER-UHFFFAOYSA-N
MW208.31 g/mol
LogP0.73
Rot. Bonds4

About 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine

1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine (PubChem CID 82871073) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine.

Molecular Properties

Compound Name1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
PubChem CID82871073
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine
SMILESCCCC1(N)CN(Cc2ccn(C)n2)C1
InChIInChI=1S/C11H20N4/c1-3-5-11(12)8-15(9-11)7-10-4-6-14(2)13-10/h4,6H,3,5,7-9,12H2,1-2H3
InChIKeyGNZMOZIEXRSVER-UHFFFAOYSA-N
XLogP0.73
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine?
The IUPAC name of 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine (CID 82871073) is 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine.
What is the SMILES notation for 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine?
The canonical SMILES for 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine is CCCC1(N)CN(Cc2ccn(C)n2)C1.
What is the InChIKey of 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine?
The InChIKey is GNZMOZIEXRSVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-3-5-11(12)8-15(9-11)7-10-4-6-14(2)13-10/h4,6H,3,5,7-9,12H2,1-2H3.
What are the key properties of 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine?
1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine has a molecular weight of 208.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazol-3-yl)methyl]-3-propylazetidin-3-amine is sourced from PubChem (CID 82871073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).