1-(1-ethylazetidin-3-yl)-4-methylpyrazole

C9H15N3 — CID 155031807

IUPAC1-(1-ethylazetidin-3-yl)-4-methylpyrazole
SMILESCCN1CC(n2cc(C)cn2)C1
InChIInChI=1S/C9H15N3/c1-3-11-6-9(7-11)12-5-8(2)4-10-12/h4-5,9H,3,6-7H2,1-2H3
InChIKeyNSPVFMZJAKCYMN-UHFFFAOYSA-N
MW165.24 g/mol
LogP1.07
Rot. Bonds2

About 1-(1-ethylazetidin-3-yl)-4-methylpyrazole

1-(1-ethylazetidin-3-yl)-4-methylpyrazole (PubChem CID 155031807) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-(1-ethylazetidin-3-yl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(1-ethylazetidin-3-yl)-4-methylpyrazole
PubChem CID155031807
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name1-(1-ethylazetidin-3-yl)-4-methylpyrazole
SMILESCCN1CC(n2cc(C)cn2)C1
InChIInChI=1S/C9H15N3/c1-3-11-6-9(7-11)12-5-8(2)4-10-12/h4-5,9H,3,6-7H2,1-2H3
InChIKeyNSPVFMZJAKCYMN-UHFFFAOYSA-N
XLogP1.07
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylazetidin-3-yl)-4-methylpyrazole?
The IUPAC name of 1-(1-ethylazetidin-3-yl)-4-methylpyrazole (CID 155031807) is 1-(1-ethylazetidin-3-yl)-4-methylpyrazole.
What is the SMILES notation for 1-(1-ethylazetidin-3-yl)-4-methylpyrazole?
The canonical SMILES for 1-(1-ethylazetidin-3-yl)-4-methylpyrazole is CCN1CC(n2cc(C)cn2)C1.
What is the InChIKey of 1-(1-ethylazetidin-3-yl)-4-methylpyrazole?
The InChIKey is NSPVFMZJAKCYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3/c1-3-11-6-9(7-11)12-5-8(2)4-10-12/h4-5,9H,3,6-7H2,1-2H3.
What are the key properties of 1-(1-ethylazetidin-3-yl)-4-methylpyrazole?
1-(1-ethylazetidin-3-yl)-4-methylpyrazole has a molecular weight of 165.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylazetidin-3-yl)-4-methylpyrazole is sourced from PubChem (CID 155031807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).