5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole

C11H17N3 — CID 123367533

IUPAC5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
SMILESCc1cc(C2CNC2)n(CC2CC2)n1
InChIInChI=1S/C11H17N3/c1-8-4-11(10-5-12-6-10)14(13-8)7-9-2-3-9/h4,9-10,12H,2-3,5-7H2,1H3
InChIKeyFYEJMMFLRDHDFP-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.29
Rot. Bonds3

About 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole

5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole (PubChem CID 123367533) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
PubChem CID123367533
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole
SMILESCc1cc(C2CNC2)n(CC2CC2)n1
InChIInChI=1S/C11H17N3/c1-8-4-11(10-5-12-6-10)14(13-8)7-9-2-3-9/h4,9-10,12H,2-3,5-7H2,1H3
InChIKeyFYEJMMFLRDHDFP-UHFFFAOYSA-N
XLogP1.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole (CID 123367533) is 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole is Cc1cc(C2CNC2)n(CC2CC2)n1.
What is the InChIKey of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole?
The InChIKey is FYEJMMFLRDHDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8-4-11(10-5-12-6-10)14(13-8)7-9-2-3-9/h4,9-10,12H,2-3,5-7H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole?
5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole has a molecular weight of 191.28 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(cyclopropylmethyl)-3-methylpyrazole is sourced from PubChem (CID 123367533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).