3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole

C14H22N4 — CID 58951769

IUPAC3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H22N4/c1-5-12-11(9-14-15-7-8-16-14)13(6-2)18(17-12)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyMLWGVEYXFNQEIB-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.90
Rot. Bonds5

About 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole

3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole (PubChem CID 58951769) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole
PubChem CID58951769
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole
SMILESCCc1nn(C(C)C)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H22N4/c1-5-12-11(9-14-15-7-8-16-14)13(6-2)18(17-12)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16)
InChIKeyMLWGVEYXFNQEIB-UHFFFAOYSA-N
XLogP2.90
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole?
The IUPAC name of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole (CID 58951769) is 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole.
What is the SMILES notation for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole?
The canonical SMILES for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole is CCc1nn(C(C)C)c(CC)c1Cc1ncc[nH]1.
What is the InChIKey of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole?
The InChIKey is MLWGVEYXFNQEIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-5-12-11(9-14-15-7-8-16-14)13(6-2)18(17-12)10(3)4/h7-8,10H,5-6,9H2,1-4H3,(H,15,16).
What are the key properties of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole?
3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole has a molecular weight of 246.36 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrazole is sourced from PubChem (CID 58951769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).