1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole

C13H19N5 — CID 114250843

IUPAC1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
SMILESCCn1ccc(-n2cncc2C2(C)CCNC2)n1
InChIInChI=1S/C13H19N5/c1-3-17-7-4-12(16-17)18-10-15-8-11(18)13(2)5-6-14-9-13/h4,7-8,10,14H,3,5-6,9H2,1-2H3
InChIKeyPYXWEPVSAGLCHG-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.34
Rot. Bonds3

About 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole

1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole (PubChem CID 114250843) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole.

Molecular Properties

Compound Name1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
PubChem CID114250843
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole
SMILESCCn1ccc(-n2cncc2C2(C)CCNC2)n1
InChIInChI=1S/C13H19N5/c1-3-17-7-4-12(16-17)18-10-15-8-11(18)13(2)5-6-14-9-13/h4,7-8,10,14H,3,5-6,9H2,1-2H3
InChIKeyPYXWEPVSAGLCHG-UHFFFAOYSA-N
XLogP1.34
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716504
2-[4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenyl]acetonitrile
CID 114719785
3-methyl-4-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]phenol
CID 114720897
1-(4-bromo-2-methylphenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716752
1-(2-bromo-4-chlorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114721409
1-(1-ethylcyclobutyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114722180
1-(5-bromo-2-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718002
5-(3-methylpyrrolidin-3-yl)-1-(3-pyrazol-1-ylpropyl)imidazole
CID 114721941
1-(3-methylbutan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114716083
1-(2,2-dimethylcyclopropyl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114718607
1-(4-methylhexan-2-yl)-5-(3-methylpyrrolidin-3-yl)imidazole
CID 114720735
4-methyl-4-[3-(4-methylphenyl)imidazol-4-yl]piperidine
CID 114717532

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole?
The IUPAC name of 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole (CID 114250843) is 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole.
What is the SMILES notation for 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole?
The canonical SMILES for 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole is CCn1ccc(-n2cncc2C2(C)CCNC2)n1.
What is the InChIKey of 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole?
The InChIKey is PYXWEPVSAGLCHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-17-7-4-12(16-17)18-10-15-8-11(18)13(2)5-6-14-9-13/h4,7-8,10,14H,3,5-6,9H2,1-2H3.
What are the key properties of 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole?
1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole has a molecular weight of 245.33 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-(3-methylpyrrolidin-3-yl)imidazol-1-yl]pyrazole is sourced from PubChem (CID 114250843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).