1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine

C10H16N4 — CID 103007506

IUPAC1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ccnn1C
InChIInChI=1S/C10H16N4/c1-13-9(4-6-12-13)5-8-14-7-2-3-10(14)11/h4,6,11H,2-3,5,7-8H2,1H3/b11-10+
InChIKeyPQQLZLIZKPMBBD-ZHACJKMWSA-N
MW192.27 g/mol
LogP1.04
Rot. Bonds3

About 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine

1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine (PubChem CID 103007506) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
PubChem CID103007506
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ccnn1C
InChIInChI=1S/C10H16N4/c1-13-9(4-6-12-13)5-8-14-7-2-3-10(14)11/h4,6,11H,2-3,5,7-8H2,1H3/b11-10+
InChIKeyPQQLZLIZKPMBBD-ZHACJKMWSA-N
XLogP1.04
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-diazinan-2-one
CID 103012757
1-(2-pyridin-3-ylethyl)pyrrolidin-2-imine
CID 60914978
2-[2-(2-methylpyrazol-3-yl)ethyl]-4,5-dihydro-3H-2-benzazepin-1-one
CID 103015506
1-[2-(1,2,4-triazol-4-yl)ethyl]pyrrolidin-2-imine
CID 130993322
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine
CID 106402515
1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
CID 130778886
1-[2-(3-methylphenyl)ethyl]piperidin-2-imine
CID 62314831
1-(2-methylsulfanylethyl)pyrrolidin-2-imine
CID 63966554
1-(2-cyclohexylethyl)pyrrolidin-2-imine
CID 60920084
1-(2-pyrrolidin-1-ylethyl)pyrrolidin-2-imine
CID 62640522
1-[2-(2-methylpyrazol-3-yl)ethyl]piperazine
CID 82606001
N-[2-(2-iminopyrrolidin-1-yl)ethyl]-N-methylcyclopropanamine
CID 62978160

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine?
The IUPAC name of 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine (CID 103007506) is 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CCc1ccnn1C.
What is the InChIKey of 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine?
The InChIKey is PQQLZLIZKPMBBD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N4/c1-13-9(4-6-12-13)5-8-14-7-2-3-10(14)11/h4,6,11H,2-3,5,7-8H2,1H3/b11-10+.
What are the key properties of 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine?
1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine has a molecular weight of 192.27 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrolidin-2-imine is sourced from PubChem (CID 103007506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).