(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate

C15H12ClFN4O2 — CID 167895155

IUPAC(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCn1c(Cl)cnc1COC(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H12ClFN4O2/c1-21-13(16)7-18-14(21)8-23-15(22)12-6-11(19-20-12)9-4-2-3-5-10(9)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUJELLZCGORXWSB-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.96
Rot. Bonds4

About (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate

(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate (PubChem CID 167895155) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate
PubChem CID167895155
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate
SMILESCn1c(Cl)cnc1COC(=O)c1cc(-c2ccccc2F)n[nH]1
InChIInChI=1S/C15H12ClFN4O2/c1-21-13(16)7-18-14(21)8-23-15(22)12-6-11(19-20-12)9-4-2-3-5-10(9)17/h2-7H,8H2,1H3,(H,19,20)
InChIKeyUJELLZCGORXWSB-UHFFFAOYSA-N
XLogP2.96
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate?
The IUPAC name of (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate (CID 167895155) is (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate?
The canonical SMILES for (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate is Cn1c(Cl)cnc1COC(=O)c1cc(-c2ccccc2F)n[nH]1.
What is the InChIKey of (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate?
The InChIKey is UJELLZCGORXWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c1-21-13(16)7-18-14(21)8-23-15(22)12-6-11(19-20-12)9-4-2-3-5-10(9)17/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate?
(5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate has a molecular weight of 334.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1-methylimidazol-2-yl)methyl 3-(2-fluorophenyl)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 167895155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).