1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole

C13H19N5 — CID 73440521

IUPAC1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cn[nH]c1C1CCCN1Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-10-8-15-16-13(10)11-4-3-6-18(11)9-12-14-5-7-17(12)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,16)
InChIKeyLTCUQPYCRLUDKZ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.79
Rot. Bonds3

About 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole

1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole (PubChem CID 73440521) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole.

Molecular Properties

Compound Name1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
PubChem CID73440521
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole
SMILESCc1cn[nH]c1C1CCCN1Cc1nccn1C
InChIInChI=1S/C13H19N5/c1-10-8-15-16-13(10)11-4-3-6-18(11)9-12-14-5-7-17(12)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,16)
InChIKeyLTCUQPYCRLUDKZ-UHFFFAOYSA-N
XLogP1.79
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The IUPAC name of 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole (CID 73440521) is 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole.
What is the SMILES notation for 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The canonical SMILES for 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole is Cc1cn[nH]c1C1CCCN1Cc1nccn1C.
What is the InChIKey of 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
The InChIKey is LTCUQPYCRLUDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-10-8-15-16-13(10)11-4-3-6-18(11)9-12-14-5-7-17(12)2/h5,7-8,11H,3-4,6,9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole?
1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole has a molecular weight of 245.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[[2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]imidazole is sourced from PubChem (CID 73440521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).