4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole

C19H24N4 — CID 58951820

IUPAC4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N4/c1-4-17-16(18(5-2)22(3)21-17)13-19-20-11-12-23(19)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3
InChIKeyFVKHWNTXEGRHBE-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.38
Rot. Bonds6

About 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole

4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole (PubChem CID 58951820) has the molecular formula C19H24N4 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole.

Molecular Properties

Compound Name4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole
PubChem CID58951820
Molecular FormulaC19H24N4
Molecular Weight308.43 g/mol
Exact Mass308.20
IUPAC Name4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Cc1nccn1Cc1ccccc1
InChIInChI=1S/C19H24N4/c1-4-17-16(18(5-2)22(3)21-17)13-19-20-11-12-23(19)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3
InChIKeyFVKHWNTXEGRHBE-UHFFFAOYSA-N
XLogP3.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole?
The IUPAC name of 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole (CID 58951820) is 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole.
What is the SMILES notation for 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole?
The canonical SMILES for 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole is CCc1nn(C)c(CC)c1Cc1nccn1Cc1ccccc1.
What is the InChIKey of 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole?
The InChIKey is FVKHWNTXEGRHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4/c1-4-17-16(18(5-2)22(3)21-17)13-19-20-11-12-23(19)14-15-9-7-6-8-10-15/h6-12H,4-5,13-14H2,1-3H3.
What are the key properties of 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole?
4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole has a molecular weight of 308.43 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-benzylimidazol-2-yl)methyl]-3,5-diethyl-1-methylpyrazole is sourced from PubChem (CID 58951820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).