1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole

C15H15IN4 — CID 79787310

IUPAC1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccnc2-c2ccc(I)cc2)cn1
InChIInChI=1S/C15H15IN4/c1-2-20-11-12(9-18-20)10-19-8-7-17-15(19)13-3-5-14(16)6-4-13/h3-9,11H,2,10H2,1H3
InChIKeyCLZQCVUIKKFYJG-UHFFFAOYSA-N
MW378.22 g/mol
LogP3.42
Rot. Bonds4

About 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole

1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole (PubChem CID 79787310) has the molecular formula C15H15IN4 and a molecular weight of 378.22 g/mol. Its IUPAC name is 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole.

Molecular Properties

Compound Name1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole
PubChem CID79787310
Molecular FormulaC15H15IN4
Molecular Weight378.22 g/mol
Exact Mass378.03
IUPAC Name1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole
SMILESCCn1cc(Cn2ccnc2-c2ccc(I)cc2)cn1
InChIInChI=1S/C15H15IN4/c1-2-20-11-12(9-18-20)10-19-8-7-17-15(19)13-3-5-14(16)6-4-13/h3-9,11H,2,10H2,1H3
InChIKeyCLZQCVUIKKFYJG-UHFFFAOYSA-N
XLogP3.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[4-[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]phenoxy]pyrimidine
CID 56870178
N-[[1-[(1-ethylpyrazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 62222161
2-[[2-(4-iodophenyl)imidazol-1-yl]methoxy]ethyl-trimethylsilane
CID 59276562
3-[1-[(4-iodophenyl)methyl]imidazol-2-yl]aniline
CID 65477799
1-[(1-ethylpyrazol-4-yl)methyl]-3-methylpyrrole-2-carboxylic acid
CID 102604735
N-[[1-[(1-ethylpyrazol-4-yl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 66402997
1-[(1-ethylpyrazol-4-yl)methyl]indole-7-carbaldehyde
CID 102910123
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]pyrazole
CID 62730205
1-[(1-ethylpyrazol-4-yl)methyl]indol-5-amine
CID 62125660
1,4-diethylpyrazole;ethane
CID 143641951
1-[(1-ethylpyrazol-4-yl)methyl]-1,2,4-triazol-3-amine
CID 62126352
1-methyl-4-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 62403698

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole?
The IUPAC name of 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole (CID 79787310) is 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole.
What is the SMILES notation for 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole?
The canonical SMILES for 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole is CCn1cc(Cn2ccnc2-c2ccc(I)cc2)cn1.
What is the InChIKey of 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole?
The InChIKey is CLZQCVUIKKFYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN4/c1-2-20-11-12(9-18-20)10-19-8-7-17-15(19)13-3-5-14(16)6-4-13/h3-9,11H,2,10H2,1H3.
What are the key properties of 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole?
1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole has a molecular weight of 378.22 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[2-(4-iodophenyl)imidazol-1-yl]methyl]pyrazole is sourced from PubChem (CID 79787310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).