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

C14H22N4 — CID 58951698

IUPAC3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole
SMILESCCCn1nc(CC)c(Cc2ncc[nH]2)c1CC
InChIInChI=1S/C14H22N4/c1-4-9-18-13(6-3)11(12(5-2)17-18)10-14-15-7-8-16-14/h7-8H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyLOAZNRAHPXRAQP-UHFFFAOYSA-N
MW246.36 g/mol
LogP2.73
Rot. Bonds6

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

3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole (PubChem CID 58951698) 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-propylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole
PubChem CID58951698
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole
SMILESCCCn1nc(CC)c(Cc2ncc[nH]2)c1CC
InChIInChI=1S/C14H22N4/c1-4-9-18-13(6-3)11(12(5-2)17-18)10-14-15-7-8-16-14/h7-8H,4-6,9-10H2,1-3H3,(H,15,16)
InChIKeyLOAZNRAHPXRAQP-UHFFFAOYSA-N
XLogP2.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 52.73
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-propylpyrazole?
The IUPAC name of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole (CID 58951698) is 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole.
What is the SMILES notation for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole?
The canonical SMILES for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole is CCCn1nc(CC)c(Cc2ncc[nH]2)c1CC.
What is the InChIKey of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole?
The InChIKey is LOAZNRAHPXRAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-4-9-18-13(6-3)11(12(5-2)17-18)10-14-15-7-8-16-14/h7-8H,4-6,9-10H2,1-3H3,(H,15,16).
What are the key properties of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole?
3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-propylpyrazole has a molecular weight of 246.36 g/mol, XLogP of 2.73, 6 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-propylpyrazole is sourced from PubChem (CID 58951698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).