1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine

C10H16N4 — CID 130778886

IUPAC1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1c(C)cnn1C
InChIInChI=1S/C10H16N4/c1-8-6-12-13(2)9(8)7-14-5-3-4-10(14)11/h6,11H,3-5,7H2,1-2H3/b11-10+
InChIKeyCGHSEPQCJJALGL-ZHACJKMWSA-N
MW192.27 g/mol
LogP1.30
Rot. Bonds2

About 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine

1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine (PubChem CID 130778886) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
PubChem CID130778886
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1Cc1c(C)cnn1C
InChIInChI=1S/C10H16N4/c1-8-6-12-13(2)9(8)7-14-5-3-4-10(14)11/h6,11H,3-5,7H2,1-2H3/b11-10+
InChIKeyCGHSEPQCJJALGL-ZHACJKMWSA-N
XLogP1.30
TPSA44.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine?
The IUPAC name of 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine (CID 130778886) is 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1Cc1c(C)cnn1C.
What is the InChIKey of 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine?
The InChIKey is CGHSEPQCJJALGL-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-6-12-13(2)9(8)7-14-5-3-4-10(14)11/h6,11H,3-5,7H2,1-2H3/b11-10+.
What are the key properties of 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine?
1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine has a molecular weight of 192.27 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpyrazol-5-yl)methyl]pyrrolidin-2-imine is sourced from PubChem (CID 130778886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).