1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole

C11H8ClFN6 — CID 4773885

IUPAC1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole
SMILESFc1cccc(Cl)c1Cn1ccc(-n2cnnn2)n1
InChIInChI=1S/C11H8ClFN6/c12-9-2-1-3-10(13)8(9)6-18-5-4-11(15-18)19-7-14-16-17-19/h1-5,7H,6H2
InChIKeyFTFXAKAWMMIMLT-UHFFFAOYSA-N
MW278.68 g/mol
LogP1.70
Rot. Bonds3

About 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole

1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole (PubChem CID 4773885) has the molecular formula C11H8ClFN6 and a molecular weight of 278.68 g/mol. Its IUPAC name is 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole.

Molecular Properties

Compound Name1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole
PubChem CID4773885
Molecular FormulaC11H8ClFN6
Molecular Weight278.68 g/mol
Exact Mass278.05
IUPAC Name1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole
SMILESFc1cccc(Cl)c1Cn1ccc(-n2cnnn2)n1
InChIInChI=1S/C11H8ClFN6/c12-9-2-1-3-10(13)8(9)6-18-5-4-11(15-18)19-7-14-16-17-19/h1-5,7H,6H2
InChIKeyFTFXAKAWMMIMLT-UHFFFAOYSA-N
XLogP1.70
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.68
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole?
The IUPAC name of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole (CID 4773885) is 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole.
What is the SMILES notation for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole?
The canonical SMILES for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole is Fc1cccc(Cl)c1Cn1ccc(-n2cnnn2)n1.
What is the InChIKey of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole?
The InChIKey is FTFXAKAWMMIMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN6/c12-9-2-1-3-10(13)8(9)6-18-5-4-11(15-18)19-7-14-16-17-19/h1-5,7H,6H2.
What are the key properties of 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole?
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole has a molecular weight of 278.68 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]tetrazole is sourced from PubChem (CID 4773885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).