4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole

C16H18N4O — CID 72883086

IUPAC4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-16(13(2)19-18-12)14-3-5-15(6-4-14)21-10-9-20-8-7-17-11-20/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeySYXJRQFYNLHNTG-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.97
Rot. Bonds5

About 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole

4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole (PubChem CID 72883086) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole.

Molecular Properties

Compound Name4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole
PubChem CID72883086
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole
SMILESCc1n[nH]c(C)c1-c1ccc(OCCn2ccnc2)cc1
InChIInChI=1S/C16H18N4O/c1-12-16(13(2)19-18-12)14-3-5-15(6-4-14)21-10-9-20-8-7-17-11-20/h3-8,11H,9-10H2,1-2H3,(H,18,19)
InChIKeySYXJRQFYNLHNTG-UHFFFAOYSA-N
XLogP2.97
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole?
The IUPAC name of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole (CID 72883086) is 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole.
What is the SMILES notation for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole?
The canonical SMILES for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole is Cc1n[nH]c(C)c1-c1ccc(OCCn2ccnc2)cc1.
What is the InChIKey of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole?
The InChIKey is SYXJRQFYNLHNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-12-16(13(2)19-18-12)14-3-5-15(6-4-14)21-10-9-20-8-7-17-11-20/h3-8,11H,9-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole?
4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole has a molecular weight of 282.35 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-imidazol-1-ylethoxy)phenyl]-3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 72883086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).